data_2eoq_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 2eoq _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' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.78 4.78 2.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CD1' ' CD ' ' A' ' 25' ' ' ARG . 90.1 m-85 -140.25 165.84 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 35.5 tttp -158.26 150.05 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.4 t -80.58 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.63 -22.28 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.554 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.34 -48.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.2 -4.38 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.81 9.13 85.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.0 mmtt -53.79 135.8 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.593 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 p -98.98 157.24 16.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 21' ' ' SER . 14.7 m-85 -151.1 118.45 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -46.54 -31.36 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.06 125.6 3.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.583 ' CD ' ' CD1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.91 -45.48 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ARG . 2.9 m -35.78 -31.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.8 tpp85 -90.82 -55.17 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -49.51 -57.23 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.8 m-20 -37.55 -53.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -64.02 -40.2 95.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 63.3 t60 -56.93 -40.23 75.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.96 -14.37 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 mmt -86.66 -26.59 24.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.7 m -68.86 -20.68 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.7 m-70 -72.92 -24.23 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 3.98 2.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.11 167.34 22.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.3 tttt -159.48 150.27 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.3 t -80.14 171.84 14.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.61 -20.92 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.514 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.0 mp -90.88 -47.02 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -120.13 -3.87 10.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.57 5.88 83.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtm -50.4 134.83 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.58 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -99.02 157.08 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.21 118.62 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -46.7 -31.68 3.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.3 124.82 4.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.9 tpt180 -50.73 -43.67 58.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.834 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -37.42 -29.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -92.07 -55.8 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.74 -54.12 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.1 m-20 -42.12 -50.35 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 14.5 mmt180 -64.18 -38.53 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -58.88 -44.61 91.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -56.67 -12.67 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.29 -24.98 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 m -74.25 -18.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 59.1 m-70 -74.81 -18.88 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.57 0.7 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.53 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 91.0 m-85 -140.96 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 68.8 tttt -157.96 149.82 21.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.6 t -80.51 171.35 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.22 -20.76 9.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.1 -46.59 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -121.22 -4.43 9.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.57 5.96 86.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.8 mmtm -51.11 135.31 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.639 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 p -98.49 160.62 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.8 m-85 -154.2 115.47 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.4 p -46.31 -24.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.86 123.16 2.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.29 -45.03 34.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' ARG . 46.7 t -36.16 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.7 tpt180 -88.36 -54.8 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -49.44 -57.78 6.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' ND2' ' CG ' ' A' ' 25' ' ' ARG . 14.9 m-20 -36.67 -53.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -63.91 -40.03 95.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 28' ' ' LEU . 68.4 t60 -57.39 -40.13 77.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -13.48 29.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.28 -24.15 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.02 -17.32 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' HD12 ' A' ' 17' ' ' ILE . 75.8 m-70 -77.15 -20.37 55.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.559 0.695 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.77 4.42 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.8 m-85 -140.77 165.39 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.6 tttp -158.83 149.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -79.46 175.41 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.66 -21.5 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.49 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.1 mp -90.22 -46.44 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.2 p -120.32 -4.35 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.12 7.95 84.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.4 mmtm -53.09 136.21 36.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p -98.66 160.39 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 21' ' ' SER . 17.8 m-85 -154.0 114.41 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.9 p -44.38 -29.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.08 123.12 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.2 tpt180 -48.4 -45.73 36.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 94.6 p -35.16 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.4 tpp180 -89.83 -56.62 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.6 tp -46.62 -54.62 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -41.01 -52.11 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -64.93 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 48.6 t60 -58.41 -42.99 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -56.83 -15.42 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -84.99 -28.41 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 8.1 m -66.97 -20.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 71.0 m-70 -72.17 -25.44 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.537 0.684 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 3.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.5 m-85 -140.07 167.19 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 13.5 tttm -160.6 147.54 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -77.32 174.02 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.49 -22.18 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.1 mp -89.05 -46.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -120.53 -4.88 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.16 8.35 86.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 16.8 mmtt -52.77 133.45 37.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.528 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 p -97.79 156.95 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.2 m-85 -151.42 118.59 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 p -46.85 -30.11 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.67 124.03 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.3 tpt180 -49.31 -46.99 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ARG . 60.5 p -34.38 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.52 -56.28 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -38.76 -52.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 65.2 t60 -56.96 -39.71 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.72 -14.16 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 mmt -86.12 -29.54 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 6.4 m -66.42 -20.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.8 m-70 -73.08 -24.72 60.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.38 2.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.3 m-85 -140.07 166.38 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -159.21 149.71 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.3 t -79.54 176.09 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.79 -23.11 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -89.14 -47.68 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.61 -4.4 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.21 10.25 84.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 mmtp -54.67 135.62 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.585 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.79 157.16 16.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.1 116.92 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 23.2 p -45.54 -30.19 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.87 124.1 3.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.6 tpt180 -49.45 -45.35 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.1 m -35.9 -32.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.76 -55.67 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.62 -56.05 8.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -38.92 -52.36 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.08 -40.04 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 60.0 t60 -57.25 -40.53 77.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -60.07 -14.73 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -85.72 -25.72 26.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.3 m -70.3 -19.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.5 m-70 -74.3 -24.13 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.561 0.696 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 4.46 2.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -140.6 168.32 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 22.6 tttp -160.23 150.85 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.4 174.34 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.98 -22.63 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.48 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp -89.45 -48.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.5 p -118.48 -3.88 10.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.77 8.82 84.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.2 mmtp -52.4 134.83 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -98.56 156.35 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.9 m-85 -150.88 120.29 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.8 p -48.49 -28.58 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.68 124.66 3.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 2.8 tpt180 -50.52 -45.75 56.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.9 t -34.34 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.09 -55.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.7 tp -45.96 -55.49 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.2 m-20 -40.75 -51.12 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.74 -39.86 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 64.4 t60 -57.54 -40.02 77.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -59.88 -13.82 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mmt -87.09 -28.92 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 6.8 m -66.62 -20.75 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 77.0 m-70 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.542 0.686 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.06 2.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -138.93 164.24 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 63.8 tttt -157.07 150.47 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.8 t -80.72 172.68 13.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.15 -21.99 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.53 HD11 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.41 -48.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.4 p -119.01 -3.63 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.23 7.47 84.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.6 mmtp -51.52 134.77 28.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -97.82 158.19 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 21' ' ' SER . 13.1 m-85 -152.54 114.5 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.57 -29.26 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.26 126.53 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -51.66 -46.45 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 85.4 p -35.88 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.49 -54.88 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -47.92 -54.78 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.0 m-20 -40.95 -52.06 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -63.17 -39.13 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 59.5 t60 -59.06 -40.7 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.1 -14.66 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 mmt -86.04 -27.51 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.67 -20.76 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CD2' HD11 ' A' ' 17' ' ' ILE . 71.2 m-70 -72.09 -23.75 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.78 4.47 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.9 m-85 -141.11 168.6 19.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 65.5 tttt -162.35 148.95 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -78.77 175.52 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.81 -21.66 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -90.76 -46.48 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.74 -4.14 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.69 7.5 83.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.0 mmtm -52.36 135.73 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.8 p -98.42 161.78 13.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 21' ' ' SER . 18.5 m-85 -154.94 112.93 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -45.68 -23.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.24 114.64 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.9 tpt180 -40.82 -41.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 9.2 t -34.52 -37.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ARG . 53.3 mmt-85 -86.8 -54.46 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.2 tp -46.72 -57.33 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.483 ' ND2' ' CG ' ' A' ' 25' ' ' ARG . 10.8 m-20 -39.3 -52.74 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -65.5 -38.68 90.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 61.3 t60 -58.88 -41.38 86.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -59.58 -14.24 12.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -86.14 -26.81 24.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.73 -20.58 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 77.6 m-70 -74.01 -24.98 59.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 4.41 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.6 m-85 -139.91 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.6 tttp -159.5 149.29 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.8 t -78.66 177.1 8.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -23.49 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -89.54 -47.95 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.9 p -117.99 -3.76 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.37 10.19 81.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' CYS . 8.2 mmtp -54.01 134.88 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.529 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -97.99 157.22 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.9 m-85 -151.65 117.8 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.7 p -46.43 -28.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.27 122.98 2.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.558 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -49.17 -43.42 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 24.9 m -35.91 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -90.71 -53.63 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -47.54 -56.4 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.475 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -40.76 -50.08 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -65.71 -39.2 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 49.7 t60 -57.63 -41.5 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -57.15 -15.15 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -84.2 -26.2 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.6 m -69.57 -20.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.0 m-70 -73.65 -23.21 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.569 0.699 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.2 m-85 -141.16 166.43 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 67.2 tttt -159.42 149.66 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.8 t -78.94 175.42 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -21.58 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -90.56 -47.21 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.25 -4.36 10.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.29 7.02 84.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -51.8 135.66 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.618 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -98.58 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 21' ' ' SER . 21.0 m-85 -153.8 115.08 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -44.66 -29.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.21 2.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 11.3 tpt180 -47.91 -46.8 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.2 p -34.15 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.5 tpp180 -86.65 -56.03 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -46.38 -55.02 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.6 m-20 -40.6 -52.11 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -63.96 -39.33 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 54.5 t60 -58.19 -41.36 83.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.2 t -58.61 -14.95 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -85.34 -27.21 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.2 m -68.16 -20.78 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.5 m-70 -73.02 -25.06 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 4.58 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.4 m-85 -138.94 165.41 27.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 56.8 tttt -159.09 149.45 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.4 t -79.5 175.92 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.18 -22.9 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.459 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -89.12 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.38 -4.66 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.08 9.56 85.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.3 mmtt -53.64 134.58 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.537 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.6 p -99.53 155.95 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.8 m-85 -150.71 120.48 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.0 p -47.72 -31.13 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.96 127.44 4.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 tpt180 -51.76 -45.89 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' ARG . 21.1 t -36.84 -29.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.4 -53.78 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -50.2 -57.98 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.474 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.8 m-20 -37.83 -52.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -62.64 -41.1 98.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 58.7 t60 -57.56 -41.23 80.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -58.56 -13.98 6.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -86.54 -28.78 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 8.4 m -66.67 -21.55 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 74.2 m-70 -71.17 -26.7 63.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.82 5.39 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.0 m-85 -139.5 167.49 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.4 tttt -158.37 150.79 21.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.56 174.35 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -21.96 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -90.89 -50.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 27.7 p -116.85 -2.53 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.06 5.93 77.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.4 mmtm -48.77 134.74 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -99.45 153.47 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.6 m-85 -147.59 123.36 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -49.34 -32.27 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.14 128.56 5.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 3.9 tpt180 -52.42 -45.26 65.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' ARG . 6.9 t -36.65 -30.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.87 -55.85 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.69 -52.75 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.0 m-20 -43.45 -51.26 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.5 mmt85 -63.96 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 45.2 t60 -58.71 -42.42 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -56.31 -18.31 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.5 mmt -81.86 -27.86 33.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 7.0 m -69.9 -13.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.489 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 60.0 m-70 -79.92 -21.12 44.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.557 0.694 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.61 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -139.92 166.08 25.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 60.9 tttt -158.4 149.33 20.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.9 t -79.68 172.52 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.07 -21.44 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.481 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.51 -47.33 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -120.15 -4.81 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.59 7.1 87.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.6 mmtp -52.01 134.61 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.7 p -98.05 157.11 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 21' ' ' SER . 20.4 m-85 -151.34 119.32 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -47.11 -31.14 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.64 126.88 4.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -50.63 -44.85 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ARG . 18.2 t -35.64 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 tpm_? -89.46 -57.43 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -45.84 -54.68 7.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.3 m-20 -41.15 -52.06 3.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -64.46 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 64.3 t60 -57.76 -40.24 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.92 -13.38 15.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 mmt -87.25 -25.8 23.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.9 m -72.39 -17.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' HD13 ' A' ' 17' ' ' ILE . 63.9 m-70 -74.71 -25.1 58.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.906 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.506 0.67 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.5 m-85 -140.41 166.9 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 64.1 tttt -158.96 150.94 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.6 t -80.65 175.66 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.59 -23.36 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -89.61 -48.9 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -117.05 -3.88 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.56 9.49 82.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmtt -53.54 136.16 38.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.637 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.44 157.37 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 21' ' ' SER . 8.1 m-85 -151.3 117.8 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 p -47.0 -23.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.35 124.13 2.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.2 tpt180 -50.49 -46.14 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' ARG . 56.5 m -34.11 -34.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.05 -52.84 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.0 tp -48.14 -52.84 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.7 m-20 -43.14 -50.46 6.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -64.38 -38.99 92.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 58.2 t60 -58.58 -40.3 82.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -58.56 -14.79 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.4 mmt -84.68 -29.16 25.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.7 m -67.53 -18.03 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 71.6 m-70 -76.02 -20.15 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.12 166.84 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.37 149.78 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t -78.94 177.47 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.45 -21.86 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -90.87 -46.61 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -119.24 -4.59 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.89 7.7 84.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -52.66 136.55 32.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -99.74 157.47 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.1 m-85 -150.89 116.4 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.0 p -45.4 -30.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.81 121.58 2.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.9 tpp180 -45.85 -42.69 12.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.7 t -36.75 -35.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -87.32 -53.37 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.7 tp -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.474 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.5 m-20 -36.07 -53.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.51 -39.78 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LEU . 59.5 t60 -57.32 -39.32 75.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 t -62.08 -14.32 35.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -85.53 -28.1 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.3 m -67.28 -21.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 77.9 m-70 -72.6 -26.12 61.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.1 mptt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 4.55 2.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 91.6 m-85 -140.67 166.12 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 58.2 tttt -159.61 148.05 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.7 t -78.2 173.15 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.9 -21.75 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.82 -47.54 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.491 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.62 -4.15 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.21 8.05 85.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 17.7 mmtt -52.82 134.65 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.63 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -96.8 161.33 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 21' ' ' SER . 22.9 m-85 -154.52 111.34 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -43.71 -22.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 22' ' ' PHE . . . -142.14 116.55 1.07 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.2 tpt180 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 5.5 t -35.73 -37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -85.26 -53.53 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -47.9 -57.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 11.0 m-20 -38.71 -53.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.6 mmt85 -64.08 -38.76 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -58.37 -43.95 88.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -57.54 -12.5 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.26 -24.63 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.54 -18.05 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' HD12 ' A' ' 17' ' ' ILE . 64.9 m-70 -77.87 -16.86 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.36 2.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.9 m-85 -139.63 168.58 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.88 150.78 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -80.57 175.38 10.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.02 -23.12 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.447 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -89.1 -48.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -118.55 -3.99 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.4 9.53 84.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.7 mmtp -53.34 135.33 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 p -99.11 154.68 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 28' ' ' LEU . 27.2 m-85 -149.13 121.8 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -48.59 -31.73 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.56 126.05 4.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 1.7 tpt180 -50.13 -45.44 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t -34.98 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.37 -54.05 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 22' ' ' PHE . 8.2 tp -47.94 -57.54 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.1 m-20 -39.03 -51.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -64.25 -40.0 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 56.9 t60 -57.37 -40.9 79.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -59.07 -13.74 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -86.71 -30.79 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 8.6 m -64.44 -22.39 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 74.1 m-70 -69.75 -27.94 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 88.5 m-85 -139.65 166.91 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.5 tttt -159.5 149.87 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -80.25 173.88 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -118.19 -22.25 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.0 mp -89.15 -47.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -119.08 -4.95 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.64 9.06 86.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.0 mmtp -53.85 135.64 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -98.81 157.41 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.9 m-85 -151.73 117.63 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 p -45.24 -32.54 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.89 128.07 5.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.7 tpt180 -51.92 -47.15 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.0 m -35.71 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.62 -54.52 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.3 tp -50.06 -58.01 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.7 m-20 -36.48 -51.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -63.04 -40.77 98.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.3 t60 -57.2 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -59.99 -13.45 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.3 mmt -88.52 -28.99 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.9 m -67.16 -18.99 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 71.5 m-70 -73.2 -25.94 60.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 4.75 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.8 m-85 -140.16 165.16 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.8 tttp -157.26 150.9 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.1 t -80.19 176.68 9.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.34 -23.21 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.493 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -90.09 -48.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -117.15 -3.41 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.06 9.63 80.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.8 mmtp -53.5 135.74 39.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.6 p -98.11 156.97 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 21' ' ' SER . 7.3 m-85 -151.19 117.07 5.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.8 p -44.45 -28.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.61 123.77 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.9 tpp85 -48.99 -45.63 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -34.5 -33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -91.17 -50.77 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -50.92 -52.15 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.478 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.7 m-20 -43.67 -49.82 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -64.73 -38.93 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 54.7 t60 -57.71 -40.94 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -57.84 -13.48 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -86.69 -28.72 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 9.0 m -67.47 -20.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 68.5 m-70 -71.6 -24.52 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -150.54 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -44.14 122.07 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.33 -115.53 2.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m 61.78 42.74 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.89 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -99.28 132.46 44.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 136.43 120.13 1.93 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 7' ' ' GLY . 73.6 p 34.66 41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.96 -145.87 30.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -94.49 -178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.977 0.418 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.16 158.35 79.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.78 4.78 2.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' CD1' ' CD ' ' A' ' 25' ' ' ARG . 90.1 m-85 -140.25 165.84 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 35.5 tttp -158.26 150.05 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.4 t -80.58 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.63 -22.28 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.554 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.34 -48.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.2 -4.38 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.81 9.13 85.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.0 mmtt -53.79 135.8 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.593 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 p -98.98 157.24 16.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 21' ' ' SER . 14.7 m-85 -151.1 118.45 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -46.54 -31.36 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.06 125.6 3.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.583 ' CD ' ' CD1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.91 -45.48 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ARG . 2.9 m -35.78 -31.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.8 tpp85 -90.82 -55.17 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -49.51 -57.23 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.8 m-20 -37.55 -53.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -64.02 -40.2 95.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 63.3 t60 -56.93 -40.23 75.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.96 -14.37 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 mmt -86.66 -26.59 24.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.7 m -68.86 -20.68 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.7 m-70 -72.92 -24.23 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -108.1 27.79 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.76 84.55 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -146.49 125.3 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -94.02 153.53 40.81 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.75 24.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -50.62 -50.4 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.82 153.15 39.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 174.0 10.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -120.95 174.72 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 m -107.57 130.26 54.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.489 -179.997 . . . . . . . . 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 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -98.32 99.1 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -149.64 165.06 33.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.05 -117.35 2.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -141.42 106.57 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 m -139.1 125.81 20.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.94 115.62 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -166.23 135.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.58 116.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.3 pt-20 -110.74 155.05 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -84.47 157.63 61.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 3.98 2.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.11 167.34 22.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.3 tttt -159.48 150.27 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.3 t -80.14 171.84 14.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.61 -20.92 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.514 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.0 mp -90.88 -47.02 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -120.13 -3.87 10.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.57 5.88 83.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtm -50.4 134.83 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.58 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -99.02 157.08 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.21 118.62 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -46.7 -31.68 3.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.3 124.82 4.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.9 tpt180 -50.73 -43.67 58.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.834 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -37.42 -29.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -92.07 -55.8 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.74 -54.12 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.1 m-20 -42.12 -50.35 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 14.5 mmt180 -64.18 -38.53 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -58.88 -44.61 91.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -56.67 -12.67 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.29 -24.98 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 m -74.25 -18.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 59.1 m-70 -74.81 -18.88 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 t -119.91 20.63 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.13 36.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -169.95 -179.46 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -60.31 160.57 16.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 92.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.57 145.4 10.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.01 36.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -172.32 135.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.1 m -61.84 -52.46 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.496 -179.987 . . . . . . . . 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 -0.304 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -109.89 164.72 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -100.46 113.3 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.54 -142.85 7.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -93.07 146.12 23.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -50.07 116.97 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.96 170.37 29.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -156.76 155.03 30.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.23 108.93 2.92 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.92 156.11 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.51 160.52 44.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.53 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 91.0 m-85 -140.96 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 68.8 tttt -157.96 149.82 21.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.6 t -80.51 171.35 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.22 -20.76 9.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.1 -46.59 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -121.22 -4.43 9.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.57 5.96 86.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.8 mmtm -51.11 135.31 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.639 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 p -98.49 160.62 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.8 m-85 -154.2 115.47 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.4 p -46.31 -24.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.86 123.16 2.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.29 -45.03 34.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' ARG . 46.7 t -36.16 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.7 tpt180 -88.36 -54.8 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -49.44 -57.78 6.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' ND2' ' CG ' ' A' ' 25' ' ' ARG . 14.9 m-20 -36.67 -53.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -63.91 -40.03 95.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 28' ' ' LEU . 68.4 t60 -57.39 -40.13 77.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -13.48 29.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.28 -24.15 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.02 -17.32 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' HD12 ' A' ' 17' ' ' ILE . 75.8 m-70 -77.15 -20.37 55.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t -107.44 26.42 10.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.98 84.51 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -90.29 90.99 8.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -101.4 144.01 27.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 76.7 p -107.22 129.86 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 38.01 -158.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.01 66.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -75.89 102.87 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -105.31 -43.71 4.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.477 179.98 . . . . . . . . 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 -0.315 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -88.77 158.41 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.813 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -96.16 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.49 111.95 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 p -85.37 99.92 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -164.93 122.48 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 157.24 29.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -116.62 128.53 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 111.208 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -155.4 26.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -140.21 143.25 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -107.98 160.15 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.925 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.77 4.42 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.8 m-85 -140.77 165.39 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.6 tttp -158.83 149.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -79.46 175.41 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.66 -21.5 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.49 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.1 mp -90.22 -46.44 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.2 p -120.32 -4.35 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.12 7.95 84.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.4 mmtm -53.09 136.21 36.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p -98.66 160.39 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 21' ' ' SER . 17.8 m-85 -154.0 114.41 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.9 p -44.38 -29.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.08 123.12 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.2 tpt180 -48.4 -45.73 36.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 94.6 p -35.16 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.4 tpp180 -89.83 -56.62 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.6 tp -46.62 -54.62 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -41.01 -52.11 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -64.93 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 48.6 t60 -58.41 -42.99 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -56.83 -15.42 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -84.99 -28.41 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 8.1 m -66.97 -20.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 71.0 m-70 -72.17 -25.44 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -107.67 27.16 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.61 38.23 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -127.77 95.09 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -52.41 143.95 25.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 117.68 5.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.302 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -99.31 105.58 17.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.12 -153.23 25.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.39 19.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 t -66.58 143.12 57.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -154.09 128.06 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.458 179.993 . . . . . . . . 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 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -81.16 -52.64 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 t 54.96 42.09 31.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.17 -168.42 15.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -105.68 113.26 26.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -128.43 112.11 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.82 157.74 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -127.34 38.74 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.93 140.43 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -105.26 162.61 13.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.79 157.09 37.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.931 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 3.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.5 m-85 -140.07 167.19 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 13.5 tttm -160.6 147.54 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -77.32 174.02 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.49 -22.18 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.1 mp -89.05 -46.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -120.53 -4.88 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.16 8.35 86.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 16.8 mmtt -52.77 133.45 37.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.528 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 p -97.79 156.95 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.2 m-85 -151.42 118.59 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 p -46.85 -30.11 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.67 124.03 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.3 tpt180 -49.31 -46.99 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ARG . 60.5 p -34.38 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.52 -56.28 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -38.76 -52.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 65.2 t60 -56.96 -39.71 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.72 -14.16 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 mmt -86.12 -29.54 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 6.4 m -66.42 -20.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.8 m-70 -73.08 -24.72 60.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -106.0 -23.61 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.25 41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.38 101.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -52.14 143.79 23.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.53 26.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.391 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 p -88.8 95.53 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.5 -177.13 43.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.89 58.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.8 p -130.14 158.49 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 m -145.61 145.38 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.496 -179.974 . . . . . . . . 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 -0.352 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -94.53 -51.84 4.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -163.25 116.71 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.29 -112.15 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -101.7 42.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -45.69 -49.2 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.98 -164.17 15.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -94.99 149.52 21.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.03 64.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -84.08 166.23 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -46.02 157.75 0.39 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.38 2.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.3 m-85 -140.07 166.38 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -159.21 149.71 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.3 t -79.54 176.09 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.79 -23.11 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -89.14 -47.68 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.61 -4.4 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.21 10.25 84.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 mmtp -54.67 135.62 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.585 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.79 157.16 16.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.1 116.92 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 23.2 p -45.54 -30.19 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.87 124.1 3.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.6 tpt180 -49.45 -45.35 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.1 m -35.9 -32.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.76 -55.67 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.62 -56.05 8.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -38.92 -52.36 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.08 -40.04 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 60.0 t60 -57.25 -40.53 77.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -60.07 -14.73 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -85.72 -25.72 26.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.3 m -70.3 -19.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.5 m-70 -74.3 -24.13 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -114.1 -21.16 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.71 83.56 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.054 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.26 130.47 56.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -95.14 158.37 34.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.36 30.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -97.26 88.03 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.84 150.08 5.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 93.42 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.4 t -57.32 131.67 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 t -174.95 148.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.496 -179.997 . . . . . . . . 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 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.55 172.75 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -112.97 42.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.53 120.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -86.78 123.63 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -98.94 114.25 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.26 -147.1 7.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -125.43 150.45 47.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.88 -52.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.48 176.97 3.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -52.28 158.7 1.81 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.561 0.696 . . . . 0.0 110.914 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 4.46 2.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -140.6 168.32 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 22.6 tttp -160.23 150.85 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.4 174.34 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.98 -22.63 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp -89.45 -48.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.5 p -118.48 -3.88 10.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.77 8.82 84.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.2 mmtp -52.4 134.83 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -98.56 156.35 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.9 m-85 -150.88 120.29 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.8 p -48.49 -28.58 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.68 124.66 3.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 2.8 tpt180 -50.52 -45.75 56.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.9 t -34.34 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.09 -55.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.7 tp -45.96 -55.49 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.2 m-20 -40.75 -51.12 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.74 -39.86 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 64.4 t60 -57.54 -40.02 77.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -59.88 -13.82 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mmt -87.09 -28.92 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 6.8 m -66.62 -20.75 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 77.0 m-70 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t -106.24 -24.49 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.99 39.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.55 89.31 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -119.2 159.05 46.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.2 6.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -123.96 -42.66 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.29 -159.91 10.39 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 153.16 69.24 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -153.55 137.26 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -112.27 136.97 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.506 179.99 . . . . . . . . 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 1.452 -0.271 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -64.22 117.11 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -76.42 -62.7 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.65 64.31 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -91.02 129.8 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -76.73 121.56 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.66 -132.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -148.43 155.78 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.362 . . . . 0.0 111.117 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.98 -155.32 7.25 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -142.34 176.1 9.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -94.66 156.93 37.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.542 0.686 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.06 2.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -138.93 164.24 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 63.8 tttt -157.07 150.47 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.8 t -80.72 172.68 13.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.15 -21.99 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.53 HD11 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.41 -48.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.4 p -119.01 -3.63 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.23 7.47 84.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.6 mmtp -51.52 134.77 28.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -97.82 158.19 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 21' ' ' SER . 13.1 m-85 -152.54 114.5 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.57 -29.26 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.26 126.53 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -51.66 -46.45 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 85.4 p -35.88 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.49 -54.88 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -47.92 -54.78 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.0 m-20 -40.95 -52.06 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -63.17 -39.13 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 59.5 t60 -59.06 -40.7 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.1 -14.66 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 mmt -86.04 -27.51 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.67 -20.76 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CD2' HD11 ' A' ' 17' ' ' ILE . 71.2 m-70 -72.09 -23.75 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -108.56 28.77 8.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.13 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -138.15 156.13 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.8 ttpt -56.85 138.04 78.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.565 0.697 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.68 92.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 p -174.95 164.3 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.05 170.47 20.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 150.32 68.0 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -58.34 -47.24 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -39.98 128.68 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.458 -179.935 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -49.67 -48.42 49.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -85.54 81.61 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.89 -134.38 31.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -133.1 -50.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -61.48 112.99 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.23 91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -112.53 -43.51 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.52 109.71 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 15.0 mp0 -128.44 168.37 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -85.82 161.4 50.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.78 4.47 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.9 m-85 -141.11 168.6 19.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 65.5 tttt -162.35 148.95 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -78.77 175.52 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.81 -21.66 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -90.76 -46.48 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.74 -4.14 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.69 7.5 83.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.0 mmtm -52.36 135.73 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.8 p -98.42 161.78 13.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 21' ' ' SER . 18.5 m-85 -154.94 112.93 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -45.68 -23.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.24 114.64 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.9 tpt180 -40.82 -41.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 9.2 t -34.52 -37.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ARG . 53.3 mmt-85 -86.8 -54.46 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.2 tp -46.72 -57.33 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.483 ' ND2' ' CG ' ' A' ' 25' ' ' ARG . 10.8 m-20 -39.3 -52.74 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -65.5 -38.68 90.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 61.3 t60 -58.88 -41.38 86.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -59.58 -14.24 12.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -86.14 -26.81 24.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.73 -20.58 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 77.6 m-70 -74.01 -24.98 59.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -108.31 25.93 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.53 78.31 6.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -128.28 131.37 48.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -89.1 155.1 49.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 m -121.41 122.86 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.28 -162.52 24.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.534 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.42 50.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.24 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.2 m -67.08 171.95 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.4 p -96.14 120.3 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.508 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -49.2 167.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -166.85 143.47 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.75 80.7 1.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -78.6 135.35 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -89.98 -51.48 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.19 -149.34 12.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -147.92 159.2 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.327 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.65 167.52 12.13 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.43 164.13 18.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -72.96 158.09 87.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 4.41 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.6 m-85 -139.91 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.6 tttp -159.5 149.29 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.8 t -78.66 177.1 8.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -23.49 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -89.54 -47.95 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.9 p -117.99 -3.76 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.37 10.19 81.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' CYS . 8.2 mmtp -54.01 134.88 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.529 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -97.99 157.22 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.9 m-85 -151.65 117.8 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.7 p -46.43 -28.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.27 122.98 2.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.558 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -49.17 -43.42 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 24.9 m -35.91 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -90.71 -53.63 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -47.54 -56.4 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.475 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -40.76 -50.08 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -65.71 -39.2 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 49.7 t60 -57.63 -41.5 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -57.15 -15.15 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -84.2 -26.2 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.6 m -69.57 -20.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.0 m-70 -73.65 -23.21 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t -115.2 26.78 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.61 44.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.08 46.96 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -43.36 152.18 0.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.91 34.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.38 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -76.67 102.72 6.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.45 165.56 25.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 166.2 28.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 p -90.52 -58.47 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -46.82 -43.63 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.813 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.429 -179.931 . . . . . . . . 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 -0.283 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -86.24 42.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.0 t -100.4 121.34 41.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.59 61.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -83.32 95.39 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -99.98 151.77 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.15 173.46 45.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -60.0 127.74 33.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.19 76.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 37.1 mt-10 -132.99 160.26 37.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -87.75 160.83 46.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.2 m-85 -141.16 166.43 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 67.2 tttt -159.42 149.66 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.8 t -78.94 175.42 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -21.58 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -90.56 -47.21 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.25 -4.36 10.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.29 7.02 84.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -51.8 135.66 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.618 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -98.58 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 21' ' ' SER . 21.0 m-85 -153.8 115.08 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -44.66 -29.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.21 2.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 11.3 tpt180 -47.91 -46.8 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.2 p -34.15 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.5 tpp180 -86.65 -56.03 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -46.38 -55.02 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.6 m-20 -40.6 -52.11 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -63.96 -39.33 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 54.5 t60 -58.19 -41.36 83.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.2 t -58.61 -14.95 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -85.34 -27.21 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.2 m -68.16 -20.78 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 75.5 m-70 -73.02 -25.06 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.63 39.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -92.7 117.3 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -43.67 156.89 0.28 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.329 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . 89.1 p -34.27 143.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.88 152.7 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.73 2.86 3.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' PRO . 61.9 m -34.33 -43.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.6 t -103.71 87.86 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.487 -179.954 . . . . . . . . 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 1.45 -0.368 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -79.25 -61.3 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -130.08 161.64 30.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.88 55.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p 41.73 42.45 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -91.25 176.95 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 93.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.01 159.14 42.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.109 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.97 110.93 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 8.6 pt-20 -105.93 169.98 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HE3' ' C ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -89.18 155.64 49.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 4.58 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.4 m-85 -138.94 165.41 27.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 56.8 tttt -159.09 149.45 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.4 t -79.5 175.92 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.18 -22.9 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -89.12 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.38 -4.66 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.08 9.56 85.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.3 mmtt -53.64 134.58 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.537 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.6 p -99.53 155.95 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.8 m-85 -150.71 120.48 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.0 p -47.72 -31.13 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.96 127.44 4.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 tpt180 -51.76 -45.89 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' ARG . 21.1 t -36.84 -29.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.4 -53.78 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -50.2 -57.98 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.474 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.8 m-20 -37.83 -52.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -62.64 -41.1 98.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 58.7 t60 -57.56 -41.23 80.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -58.56 -13.98 6.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -86.54 -28.78 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 8.4 m -66.67 -21.55 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 74.2 m-70 -71.17 -26.7 63.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -109.32 28.13 8.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.0 38.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -124.24 77.98 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -48.36 153.75 1.24 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.68 0.97 4.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' PRO . 70.9 m -36.98 -53.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.52 148.67 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -96.06 44.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 t -117.13 111.17 19.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.468 -179.958 . . . . . . . . 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 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -54.23 144.16 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -101.75 174.47 5.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.72 104.49 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -51.13 -47.52 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m 52.73 42.46 31.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 92.55 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -104.28 135.34 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.32 99.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -82.3 148.56 28.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -55.72 156.15 9.75 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.82 5.39 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.0 m-85 -139.5 167.49 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.4 tttt -158.37 150.79 21.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.56 174.35 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -21.96 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.3 mp -90.89 -50.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 27.7 p -116.85 -2.53 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.06 5.93 77.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.4 mmtm -48.77 134.74 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -99.45 153.47 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.6 m-85 -147.59 123.36 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -49.34 -32.27 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.14 128.56 5.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 3.9 tpt180 -52.42 -45.26 65.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' ARG . 6.9 t -36.65 -30.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.87 -55.85 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.69 -52.75 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.0 m-20 -43.45 -51.26 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.5 mmt85 -63.96 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 45.2 t60 -58.71 -42.42 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -56.31 -18.31 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.5 mmt -81.86 -27.86 33.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 7.0 m -69.9 -13.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 60.0 m-70 -79.92 -21.12 44.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -115.13 -24.86 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.71 79.06 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -160.89 171.47 18.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -38.88 159.22 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.81 2.91 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' PRO . 90.9 p -33.95 -46.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.26 146.16 8.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.78 162.68 41.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 m 37.06 40.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -128.16 171.2 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.471 -179.982 . . . . . . . . 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 -0.346 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -47.31 124.93 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 110.823 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -155.67 136.84 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.99 106.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -81.58 46.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -60.48 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.63 74.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 p -118.84 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.25 -109.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -132.94 -176.97 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.02 158.15 44.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.61 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -139.92 166.08 25.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 60.9 tttt -158.4 149.33 20.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.9 t -79.68 172.52 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.07 -21.44 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.481 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.51 -47.33 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -120.15 -4.81 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.59 7.1 87.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.6 mmtp -52.01 134.61 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.7 p -98.05 157.11 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 21' ' ' SER . 20.4 m-85 -151.34 119.32 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -47.11 -31.14 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.64 126.88 4.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -50.63 -44.85 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ARG . 18.2 t -35.64 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 tpm_? -89.46 -57.43 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -45.84 -54.68 7.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.3 m-20 -41.15 -52.06 3.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -64.46 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 64.3 t60 -57.76 -40.24 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.92 -13.38 15.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 mmt -87.25 -25.8 23.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 4.9 m -72.39 -17.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' HD13 ' A' ' 17' ' ' ILE . 63.9 m-70 -74.71 -25.1 58.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t -107.09 -23.85 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.85 76.13 10.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -120.03 129.67 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.37 144.88 47.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 92.61 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -128.94 155.41 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.49 146.24 8.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 89.19 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 t -114.31 104.35 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -148.64 120.17 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.493 -179.995 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -50.3 -56.31 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.3 m -131.65 83.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.15 47.76 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -123.37 161.62 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -70.09 175.84 4.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.89 -56.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -77.16 111.19 12.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.18 -86.2 0.76 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.03 177.09 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 158.59 37.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.506 0.67 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.5 m-85 -140.41 166.9 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 64.1 tttt -158.96 150.94 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.6 t -80.65 175.66 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.59 -23.36 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -89.61 -48.9 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -117.05 -3.88 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.56 9.49 82.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmtt -53.54 136.16 38.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.637 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.44 157.37 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 21' ' ' SER . 8.1 m-85 -151.3 117.8 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 p -47.0 -23.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.35 124.13 2.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.2 tpt180 -50.49 -46.14 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' ARG . 56.5 m -34.11 -34.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.05 -52.84 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.0 tp -48.14 -52.84 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.7 m-20 -43.14 -50.46 6.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -64.38 -38.99 92.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 58.2 t60 -58.58 -40.3 82.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -58.56 -14.79 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.4 mmt -84.68 -29.16 25.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.7 m -67.53 -18.03 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 71.6 m-70 -76.02 -20.15 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 37' ' ' ALA . 10.5 t -113.32 -24.8 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 36' ' ' THR . . . -75.78 77.65 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -143.14 133.6 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -95.59 153.1 39.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.538 0.685 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 161.89 44.2 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -46.83 -48.96 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.58 163.64 35.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 m -76.41 50.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -94.25 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.482 -179.98 . . . . . . . . 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 -0.313 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -59.74 90.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 t -116.79 157.28 25.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.32 -172.97 31.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -146.49 143.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.82 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 p -43.98 155.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.71 -126.84 2.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -100.71 121.13 41.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.04 44.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.23 179.47 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.76 157.85 43.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.12 166.84 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.37 149.78 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t -78.94 177.47 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.45 -21.86 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -90.87 -46.61 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -119.24 -4.59 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.89 7.7 84.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -52.66 136.55 32.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -99.74 157.47 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.1 m-85 -150.89 116.4 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.0 p -45.4 -30.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.81 121.58 2.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.9 tpp180 -45.85 -42.69 12.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.7 t -36.75 -35.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -87.32 -53.37 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.7 tp -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.474 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.5 m-20 -36.07 -53.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.51 -39.78 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' LEU . 59.5 t60 -57.32 -39.32 75.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 t -62.08 -14.32 35.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -85.53 -28.1 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.3 m -67.28 -21.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 77.9 m-70 -72.6 -26.12 61.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 37' ' ' ALA . 9.2 t -106.27 -22.3 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 36' ' ' THR . . . -83.79 80.13 9.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -107.72 102.24 11.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -91.57 143.88 28.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.533 0.683 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.22 4.59 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.7 t -98.52 113.59 25.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.793 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.37 167.22 40.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 179.1 3.92 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.9 p -170.86 112.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.6 t -72.84 143.62 47.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.479 -179.964 . . . . . . . . 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 -0.314 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t -63.26 103.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -132.23 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.8 -54.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -119.56 93.88 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -167.78 135.78 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.74 -97.87 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -84.57 143.35 29.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.77 -180.0 45.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.97 -177.67 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.1 mptt -48.76 160.62 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 4.55 2.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 91.6 m-85 -140.67 166.12 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 58.2 tttt -159.61 148.05 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.7 t -78.2 173.15 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.9 -21.75 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.82 -47.54 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.491 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.62 -4.15 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.21 8.05 85.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 17.7 mmtt -52.82 134.65 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.63 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -96.8 161.33 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 21' ' ' SER . 22.9 m-85 -154.52 111.34 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -43.71 -22.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 22' ' ' PHE . . . -142.14 116.55 1.07 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.2 tpt180 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 5.5 t -35.73 -37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -85.26 -53.53 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -47.9 -57.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 11.0 m-20 -38.71 -53.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.6 mmt85 -64.08 -38.76 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -58.37 -43.95 88.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -57.54 -12.5 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.26 -24.63 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.54 -18.05 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' HD12 ' A' ' 17' ' ' ILE . 64.9 m-70 -77.87 -16.86 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -122.52 25.97 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.93 38.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -135.7 131.91 36.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -42.84 145.6 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 95.39 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m -68.78 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.83 146.19 5.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.15 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 161.4 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -76.64 -53.84 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.483 -179.956 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -130.55 116.6 18.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -66.74 174.12 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.07 58.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -164.66 118.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -155.59 160.73 40.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.9 52.1 3.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 p -138.57 147.73 43.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -138.32 6.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -85.1 149.55 25.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -91.72 156.92 42.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.36 2.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.9 m-85 -139.63 168.58 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.88 150.78 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -80.57 175.38 10.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.02 -23.12 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.447 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -89.1 -48.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -118.55 -3.99 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.4 9.53 84.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.7 mmtp -53.34 135.33 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 p -99.11 154.68 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 28' ' ' LEU . 27.2 m-85 -149.13 121.8 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -48.59 -31.73 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.56 126.05 4.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 1.7 tpt180 -50.13 -45.44 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t -34.98 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.37 -54.05 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 22' ' ' PHE . 8.2 tp -47.94 -57.54 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.1 m-20 -39.03 -51.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -64.25 -40.0 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 56.9 t60 -57.37 -40.9 79.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -59.07 -13.74 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -86.71 -30.79 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 8.6 m -64.44 -22.39 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 74.1 m-70 -69.75 -27.94 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 37' ' ' ALA . 14.5 t -107.08 -24.01 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' N ' HG21 ' A' ' 36' ' ' THR . . . -89.07 37.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -134.02 138.86 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -114.27 144.67 32.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 162.85 40.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.9 t -100.21 42.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.69 -166.17 2.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.76 5.28 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -134.66 160.54 37.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 t -125.26 -50.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.49 179.988 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -58.21 136.13 57.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -117.57 169.61 9.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.1 -118.54 2.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -159.13 115.83 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -73.99 133.32 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.99 -60.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.3 p -128.83 109.84 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.4 -55.04 0.18 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.25 166.57 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -62.79 157.61 58.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 88.5 m-85 -139.65 166.91 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.5 tttt -159.5 149.87 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -80.25 173.88 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -118.19 -22.25 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.0 mp -89.15 -47.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -119.08 -4.95 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.64 9.06 86.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.0 mmtp -53.85 135.64 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -98.81 157.41 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.9 m-85 -151.73 117.63 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 p -45.24 -32.54 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.89 128.07 5.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.7 tpt180 -51.92 -47.15 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.0 m -35.71 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.62 -54.52 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.3 tp -50.06 -58.01 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.7 m-20 -36.48 -51.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -63.04 -40.77 98.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LEU . 70.3 t60 -57.2 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -59.99 -13.45 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.3 mmt -88.52 -28.99 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 5.9 m -67.16 -18.99 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 71.5 m-70 -73.2 -25.94 60.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -109.13 28.17 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.45 38.66 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -147.79 139.1 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -42.4 149.26 0.47 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.69 3.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.39 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.1 p -57.8 174.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.61 145.11 10.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.94 5.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.7 p -97.84 156.45 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.7 p -130.63 120.74 24.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.458 -179.994 . . . . . . . . 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 -0.326 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p 40.28 41.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -82.74 40.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.45 154.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -82.49 47.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -106.56 133.84 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.67 124.04 2.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -96.22 163.21 13.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.02 158.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -118.83 155.53 31.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -88.92 158.21 47.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 4.75 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.8 m-85 -140.16 165.16 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.8 tttp -157.26 150.9 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.1 t -80.19 176.68 9.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.34 -23.21 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.493 ' HB ' ' CE1' ' A' ' 35' ' ' HIS . 3.4 mp -90.09 -48.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -117.15 -3.41 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.06 9.63 80.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.8 mmtp -53.5 135.74 39.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.6 p -98.11 156.97 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 21' ' ' SER . 7.3 m-85 -151.19 117.07 5.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.8 p -44.45 -28.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.61 123.77 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.9 tpp85 -48.99 -45.63 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -34.5 -33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -91.17 -50.77 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -50.92 -52.15 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.478 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.7 m-20 -43.67 -49.82 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -64.73 -38.93 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 54.7 t60 -57.71 -40.94 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -57.84 -13.48 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -86.69 -28.72 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 9.0 m -67.47 -20.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 68.5 m-70 -71.6 -24.52 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 37' ' ' ALA . 12.1 t -105.84 -24.45 12.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 36' ' ' THR . . . -81.62 81.64 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.48 111.3 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -77.77 152.61 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.708 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 101.89 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 m -162.2 162.28 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.83 -176.79 15.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -87.55 -61.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -63.52 112.2 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.78 4.78 2.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 90.1 m-85 -140.25 165.84 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 35.5 tttp -158.26 150.05 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.4 t -80.58 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.63 -22.28 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.726 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.34 -48.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.2 -4.38 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.81 9.13 85.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.0 mmtt -53.79 135.8 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.593 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 p -98.98 157.24 16.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 21' ' ' SER . 14.7 m-85 -151.1 118.45 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -46.54 -31.36 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.06 125.6 3.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.91 -45.48 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ARG . 2.9 m -35.78 -31.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.8 tpp85 -90.82 -55.17 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -49.51 -57.23 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.6 m120 -37.55 -53.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -64.02 -40.2 95.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.957 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t60 -56.93 -40.23 75.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.96 -14.37 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 mmt -86.66 -26.59 24.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.7 m -68.86 -20.68 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.726 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.7 m-70 -72.92 -24.23 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 3.98 2.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.11 167.34 22.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.3 tttt -159.48 150.27 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.3 t -80.14 171.84 14.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.61 -20.92 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.766 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.88 -47.02 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -120.13 -3.87 10.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.57 5.88 83.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtm -50.4 134.83 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.58 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -99.02 157.08 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.21 118.62 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -46.7 -31.68 3.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.3 124.82 4.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.9 tpt180 -50.73 -43.67 58.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.834 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -37.42 -29.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -92.07 -55.8 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.74 -54.12 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -42.12 -50.35 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 14.5 mmt180 -64.18 -38.53 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.637 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.5 t60 -58.88 -44.61 91.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -56.67 -12.67 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.29 -24.98 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.1 m -74.25 -18.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.766 ' CD2' HD13 ' A' ' 17' ' ' ILE . 59.1 m-70 -74.81 -18.88 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.57 0.7 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.53 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 91.0 m-85 -140.96 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 68.8 tttt -157.96 149.82 21.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.6 t -80.51 171.35 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.22 -20.76 9.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.769 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.1 -46.59 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -121.22 -4.43 9.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.57 5.96 86.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.8 mmtm -51.11 135.31 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.639 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 p -98.49 160.62 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.8 m-85 -154.2 115.47 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.4 p -46.31 -24.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.86 123.16 2.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.29 -45.03 34.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' ARG . 46.7 t -36.16 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.7 tpt180 -88.36 -54.8 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -49.44 -57.78 6.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.5 m120 -36.67 -53.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -63.91 -40.03 95.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.887 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.4 t60 -57.39 -40.13 77.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -13.48 29.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.28 -24.15 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -73.02 -17.32 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.769 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -77.15 -20.37 55.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.559 0.695 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.77 4.42 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 90.8 m-85 -140.77 165.39 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.6 tttp -158.83 149.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -79.46 175.41 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.66 -21.5 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.698 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -90.22 -46.44 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.2 p -120.32 -4.35 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.12 7.95 84.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.4 mmtm -53.09 136.21 36.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p -98.66 160.39 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 21' ' ' SER . 17.8 m-85 -154.0 114.41 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.9 p -44.38 -29.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.08 123.12 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 6.2 tpt180 -48.4 -45.73 36.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 94.6 p -35.16 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.4 tpp180 -89.83 -56.62 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.6 tp -46.62 -54.62 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.01 -52.11 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -64.93 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 34' ' ' VAL . 48.6 t60 -58.41 -42.99 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -56.83 -15.42 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -84.99 -28.41 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.1 m -66.97 -20.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.698 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.0 m-70 -72.17 -25.44 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.537 0.684 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 3.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.5 m-85 -140.07 167.19 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 13.5 tttm -160.6 147.54 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -77.32 174.02 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.49 -22.18 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.679 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -89.05 -46.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -120.53 -4.88 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.16 8.35 86.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 16.8 mmtt -52.77 133.45 37.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.528 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 p -97.79 156.95 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.2 m-85 -151.42 118.59 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 p -46.85 -30.11 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.67 124.03 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.3 tpt180 -49.31 -46.99 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ARG . 60.5 p -34.38 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.52 -56.28 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -38.76 -52.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.2 t60 -56.96 -39.71 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.72 -14.16 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 mmt -86.12 -29.54 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.4 m -66.42 -20.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -73.08 -24.72 60.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.38 2.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.3 m-85 -140.07 166.38 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -159.21 149.71 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.3 t -79.54 176.09 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.79 -23.11 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.14 -47.68 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.61 -4.4 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.21 10.25 84.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 mmtp -54.67 135.62 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.585 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.79 157.16 16.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.1 116.92 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 23.2 p -45.54 -30.19 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.87 124.1 3.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.6 tpt180 -49.45 -45.35 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.1 m -35.9 -32.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.76 -55.67 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.62 -56.05 8.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -38.92 -52.36 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.08 -40.04 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.953 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.0 t60 -57.25 -40.53 77.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -60.07 -14.73 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -85.72 -25.72 26.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -70.3 -19.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.745 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -74.3 -24.13 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.561 0.696 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 4.46 2.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.594 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -140.6 168.32 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 22.6 tttp -160.23 150.85 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.4 174.34 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.98 -22.63 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.696 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.2 mp -89.45 -48.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.5 p -118.48 -3.88 10.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.77 8.82 84.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.2 mmtp -52.4 134.83 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -98.56 156.35 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.9 m-85 -150.88 120.29 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.8 p -48.49 -28.58 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.68 124.66 3.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 2.8 tpt180 -50.52 -45.75 56.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.9 t -34.34 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.09 -55.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.7 tp -45.96 -55.49 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.75 -51.12 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.74 -39.86 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.972 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.4 t60 -57.54 -40.02 77.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -59.88 -13.82 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mmt -87.09 -28.92 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.8 m -66.62 -20.75 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.696 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.0 m-70 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.542 0.686 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.06 2.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -138.93 164.24 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 63.8 tttt -157.07 150.47 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.8 t -80.72 172.68 13.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.15 -21.99 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.759 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.41 -48.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.4 p -119.01 -3.63 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.465 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.23 7.47 84.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.6 mmtp -51.52 134.77 28.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -97.82 158.19 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 21' ' ' SER . 13.1 m-85 -152.54 114.5 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.57 -29.26 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.26 126.53 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -51.66 -46.45 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 85.4 p -35.88 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.49 -54.88 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -47.92 -54.78 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -40.95 -52.06 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -63.17 -39.13 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.965 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -59.06 -40.7 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.1 -14.66 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 mmt -86.04 -27.51 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.67 -20.76 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.759 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.2 m-70 -72.09 -23.75 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.868 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.78 4.47 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.9 m-85 -141.11 168.6 19.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 65.5 tttt -162.35 148.95 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -78.77 175.52 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.81 -21.66 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.76 -46.48 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.74 -4.14 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.69 7.5 83.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.0 mmtm -52.36 135.73 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.8 p -98.42 161.78 13.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 21' ' ' SER . 18.5 m-85 -154.94 112.93 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -45.68 -23.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.24 114.64 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.9 tpt180 -40.82 -41.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 9.2 t -34.52 -37.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ARG . 53.3 mmt-85 -86.8 -54.46 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.2 tp -46.72 -57.33 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -39.3 -52.74 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -65.5 -38.68 90.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.975 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.3 t60 -58.88 -41.38 86.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -59.58 -14.24 12.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -86.14 -26.81 24.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.73 -20.58 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.6 m-70 -74.01 -24.98 59.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 4.41 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.6 m-85 -139.91 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.6 tttp -159.5 149.29 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.8 t -78.66 177.1 8.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -23.49 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.69 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.54 -47.95 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.9 p -117.99 -3.76 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.37 10.19 81.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.2 mmtp -54.01 134.88 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.529 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -97.99 157.22 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.9 m-85 -151.65 117.8 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.7 p -46.43 -28.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.27 122.98 2.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -49.17 -43.42 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 24.9 m -35.91 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -90.71 -53.63 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -47.54 -56.4 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -40.76 -50.08 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -65.71 -39.2 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.936 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.7 t60 -57.63 -41.5 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -57.15 -15.15 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -84.2 -26.2 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.6 m -69.57 -20.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.69 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.0 m-70 -73.65 -23.21 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.569 0.699 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.2 m-85 -141.16 166.43 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 67.2 tttt -159.42 149.66 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.8 t -78.94 175.42 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -21.58 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.73 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.56 -47.21 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.25 -4.36 10.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.29 7.02 84.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.9 mmtm -51.8 135.66 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.618 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -98.58 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 21' ' ' SER . 21.0 m-85 -153.8 115.08 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -44.66 -29.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.21 2.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.577 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 11.3 tpt180 -47.91 -46.8 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.2 p -34.15 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.5 tpp180 -86.65 -56.03 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -46.38 -55.02 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -40.6 -52.11 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -63.96 -39.33 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.5 t60 -58.19 -41.36 83.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.2 t -58.61 -14.95 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -85.34 -27.21 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -68.16 -20.78 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.73 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -73.02 -25.06 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 4.58 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.4 m-85 -138.94 165.41 27.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 56.8 tttt -159.09 149.45 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.4 t -79.5 175.92 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.18 -22.9 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.12 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.38 -4.66 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.08 9.56 85.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.3 mmtt -53.64 134.58 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.537 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.6 p -99.53 155.95 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.8 m-85 -150.71 120.48 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 12.0 p -47.72 -31.13 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.96 127.44 4.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 tpt180 -51.76 -45.89 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' ARG . 21.1 t -36.84 -29.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.4 -53.78 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -50.2 -57.98 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.4 m120 -37.83 -52.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -62.64 -41.1 98.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.992 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.7 t60 -57.56 -41.23 80.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -58.56 -13.98 6.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -86.54 -28.78 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.4 m -66.67 -21.55 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.674 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.2 m-70 -71.17 -26.7 63.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.82 5.39 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.0 m-85 -139.5 167.49 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.4 tttt -158.37 150.79 21.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.56 174.35 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -21.96 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.738 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.89 -50.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 27.7 p -116.85 -2.53 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.06 5.93 77.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.4 mmtm -48.77 134.74 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -99.45 153.47 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 13.6 m-85 -147.59 123.36 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -49.34 -32.27 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.14 128.56 5.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 3.9 tpt180 -52.42 -45.26 65.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' ARG . 6.9 t -36.65 -30.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.87 -55.85 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.69 -52.75 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -43.45 -51.26 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.5 mmt85 -63.96 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 1.035 ' O ' HG22 ' A' ' 34' ' ' VAL . 45.2 t60 -58.71 -42.42 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -56.31 -18.31 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.5 mmt -81.86 -27.86 33.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.035 HG22 ' O ' ' A' ' 31' ' ' HIS . 7.0 m -69.9 -13.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.738 ' CD2' HD13 ' A' ' 17' ' ' ILE . 60.0 m-70 -79.92 -21.12 44.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.557 0.694 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.61 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -139.92 166.08 25.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 60.9 tttt -158.4 149.33 20.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.9 t -79.68 172.52 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.07 -21.44 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.728 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.51 -47.33 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -120.15 -4.81 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.59 7.1 87.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.6 mmtp -52.01 134.61 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.7 p -98.05 157.11 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 21' ' ' SER . 20.4 m-85 -151.34 119.32 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 26.1 p -47.11 -31.14 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.64 126.88 4.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -50.63 -44.85 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ARG . 18.2 t -35.64 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 tpm_? -89.46 -57.43 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -45.84 -54.68 7.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -41.15 -52.06 3.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -64.46 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.934 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.3 t60 -57.76 -40.24 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.92 -13.38 15.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 mmt -87.25 -25.8 23.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -72.39 -17.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 17' ' ' ILE . 63.9 m-70 -74.71 -25.1 58.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.906 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.506 0.67 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.5 m-85 -140.41 166.9 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 64.1 tttt -158.96 150.94 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.6 t -80.65 175.66 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.59 -23.36 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.72 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.61 -48.9 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -117.05 -3.88 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.56 9.49 82.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmtt -53.54 136.16 38.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.637 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.44 157.37 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 21' ' ' SER . 8.1 m-85 -151.3 117.8 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 p -47.0 -23.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.35 124.13 2.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.2 tpt180 -50.49 -46.14 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' ARG . 56.5 m -34.11 -34.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.05 -52.84 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -48.14 -52.84 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -43.14 -50.46 6.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -64.38 -38.99 92.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.973 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.2 t60 -58.58 -40.3 82.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -58.56 -14.79 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.4 mmt -84.68 -29.16 25.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.7 m -67.53 -18.03 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.72 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.6 m-70 -76.02 -20.15 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.12 166.84 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.37 149.78 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t -78.94 177.47 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.45 -21.86 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.87 -46.61 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -119.24 -4.59 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.89 7.7 84.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -52.66 136.55 32.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -99.74 157.47 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.1 m-85 -150.89 116.4 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.0 p -45.4 -30.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.81 121.58 2.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.9 tpp180 -45.85 -42.69 12.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.7 t -36.75 -35.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -87.32 -53.37 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.7 tp -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m120 -36.07 -53.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.51 -39.78 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.962 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -57.32 -39.32 75.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 t -62.08 -14.32 35.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -85.53 -28.1 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -67.28 -21.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.9 m-70 -72.6 -26.12 61.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.1 mptt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 4.55 2.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 91.6 m-85 -140.67 166.12 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 58.2 tttt -159.61 148.05 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.7 t -78.2 173.15 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.9 -21.75 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.82 -47.54 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.491 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.62 -4.15 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.21 8.05 85.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 17.7 mmtt -52.82 134.65 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.63 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -96.8 161.33 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 21' ' ' SER . 22.9 m-85 -154.52 111.34 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -43.71 -22.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 22' ' ' PHE . . . -142.14 116.55 1.07 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.2 tpt180 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 5.5 t -35.73 -37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -85.26 -53.53 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.513 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -47.9 -57.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -38.71 -53.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -64.08 -38.76 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.1 t60 -58.37 -43.95 88.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -57.54 -12.5 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.26 -24.63 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -74.54 -18.05 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.816 ' CD2' HD13 ' A' ' 17' ' ' ILE . 64.9 m-70 -77.87 -16.86 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.872 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.36 2.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.9 m-85 -139.63 168.58 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.88 150.78 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -80.57 175.38 10.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.02 -23.12 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.1 -48.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -118.55 -3.99 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.4 9.53 84.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtp -53.34 135.33 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 p -99.11 154.68 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 27.2 m-85 -149.13 121.8 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -48.59 -31.73 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.56 126.05 4.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 1.7 tpt180 -50.13 -45.44 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t -34.98 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.37 -54.05 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -47.94 -57.54 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.03 -51.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -64.25 -40.0 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 56.9 t60 -57.37 -40.9 79.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -59.07 -13.74 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -86.71 -30.79 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.6 m -64.44 -22.39 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.649 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.1 m-70 -69.75 -27.94 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.5 m-85 -139.65 166.91 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.5 tttt -159.5 149.87 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -80.25 173.88 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -118.19 -22.25 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.15 -47.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -119.08 -4.95 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.64 9.06 86.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.0 mmtp -53.85 135.64 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -98.81 157.41 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.9 m-85 -151.73 117.63 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 p -45.24 -32.54 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.89 128.07 5.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.586 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.7 tpt180 -51.92 -47.15 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.0 m -35.71 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.62 -54.52 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.3 tp -50.06 -58.01 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.6 m120 -36.48 -51.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -63.04 -40.77 98.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.964 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.3 t60 -57.2 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -59.99 -13.45 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.3 mmt -88.52 -28.99 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.9 m -67.16 -18.99 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.5 m-70 -73.2 -25.94 60.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 4.75 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.8 m-85 -140.16 165.16 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.8 tttp -157.26 150.9 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.1 t -80.19 176.68 9.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.34 -23.21 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.09 -48.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -117.15 -3.41 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.06 9.63 80.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.8 mmtp -53.5 135.74 39.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.6 p -98.11 156.97 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 21' ' ' SER . 7.3 m-85 -151.19 117.07 5.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 28.8 p -44.45 -28.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.61 123.77 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.9 tpp85 -48.99 -45.63 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -34.5 -33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -91.17 -50.77 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -50.92 -52.15 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -43.67 -49.82 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -64.73 -38.93 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.7 t60 -57.71 -40.94 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -57.84 -13.48 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 36' ' ' THR . 13.9 mmt -86.69 -28.72 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.0 m -67.47 -20.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.68 ' CD2' HD13 ' A' ' 17' ' ' ILE . 68.5 m-70 -71.6 -24.52 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 33' ' ' MET . 12.1 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -150.54 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -44.14 122.07 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.33 -115.53 2.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m 61.78 42.74 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.89 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -99.28 132.46 44.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 136.43 120.13 1.93 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 7' ' ' GLY . 73.6 p 34.66 41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.96 -145.87 30.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -94.49 -178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.977 0.418 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.16 158.35 79.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.78 4.78 2.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 90.1 m-85 -140.25 165.84 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 35.5 tttp -158.26 150.05 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.4 t -80.58 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.63 -22.28 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.726 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.34 -48.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.2 -4.38 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.81 9.13 85.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.0 mmtt -53.79 135.8 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.593 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 p -98.98 157.24 16.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 21' ' ' SER . 14.7 m-85 -151.1 118.45 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -46.54 -31.36 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.06 125.6 3.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.91 -45.48 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ARG . 2.9 m -35.78 -31.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.8 tpp85 -90.82 -55.17 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -49.51 -57.23 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.6 m120 -37.55 -53.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -64.02 -40.2 95.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.957 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t60 -56.93 -40.23 75.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.96 -14.37 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 mmt -86.66 -26.59 24.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.7 m -68.86 -20.68 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.726 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.7 m-70 -72.92 -24.23 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -108.1 27.79 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.76 84.55 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -146.49 125.3 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -94.02 153.53 40.81 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.75 24.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -50.62 -50.4 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.82 153.15 39.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 174.0 10.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -120.95 174.72 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 m -107.57 130.26 54.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.489 -179.997 . . . . . . . . 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 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -98.32 99.1 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -149.64 165.06 33.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.05 -117.35 2.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -141.42 106.57 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 m -139.1 125.81 20.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.94 115.62 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -166.23 135.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.58 116.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.3 pt-20 -110.74 155.05 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -84.47 157.63 61.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 3.98 2.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.11 167.34 22.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.3 tttt -159.48 150.27 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.3 t -80.14 171.84 14.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.61 -20.92 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.766 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.88 -47.02 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -120.13 -3.87 10.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.57 5.88 83.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtm -50.4 134.83 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.58 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -99.02 157.08 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.21 118.62 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -46.7 -31.68 3.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.3 124.82 4.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.9 tpt180 -50.73 -43.67 58.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.834 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -37.42 -29.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -92.07 -55.8 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.74 -54.12 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -42.12 -50.35 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 14.5 mmt180 -64.18 -38.53 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.637 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.5 t60 -58.88 -44.61 91.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -56.67 -12.67 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.29 -24.98 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.1 m -74.25 -18.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.766 ' CD2' HD13 ' A' ' 17' ' ' ILE . 59.1 m-70 -74.81 -18.88 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 t -119.91 20.63 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.13 36.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -169.95 -179.46 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -60.31 160.57 16.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 92.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.57 145.4 10.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.01 36.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -172.32 135.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.1 m -61.84 -52.46 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.496 -179.987 . . . . . . . . 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 -0.304 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -109.89 164.72 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -100.46 113.3 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.54 -142.85 7.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -93.07 146.12 23.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -50.07 116.97 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.96 170.37 29.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -156.76 155.03 30.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.23 108.93 2.92 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.92 156.11 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.51 160.52 44.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.53 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 91.0 m-85 -140.96 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 68.8 tttt -157.96 149.82 21.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.6 t -80.51 171.35 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.22 -20.76 9.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.769 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.1 -46.59 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -121.22 -4.43 9.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.57 5.96 86.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.8 mmtm -51.11 135.31 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.639 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 p -98.49 160.62 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.8 m-85 -154.2 115.47 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.4 p -46.31 -24.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.86 123.16 2.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.29 -45.03 34.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' ARG . 46.7 t -36.16 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.7 tpt180 -88.36 -54.8 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -49.44 -57.78 6.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.5 m120 -36.67 -53.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -63.91 -40.03 95.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.887 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.4 t60 -57.39 -40.13 77.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -13.48 29.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.28 -24.15 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -73.02 -17.32 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.769 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -77.15 -20.37 55.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t -107.44 26.42 10.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.98 84.51 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -90.29 90.99 8.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -101.4 144.01 27.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 76.7 p -107.22 129.86 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 38.01 -158.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.01 66.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -75.89 102.87 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -105.31 -43.71 4.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.477 179.98 . . . . . . . . 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 -0.315 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -88.77 158.41 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.813 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -96.16 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.49 111.95 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 p -85.37 99.92 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -164.93 122.48 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 157.24 29.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -116.62 128.53 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 111.208 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -155.4 26.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -140.21 143.25 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -107.98 160.15 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.925 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.77 4.42 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 90.8 m-85 -140.77 165.39 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.6 tttp -158.83 149.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -79.46 175.41 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.66 -21.5 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.698 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -90.22 -46.44 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.2 p -120.32 -4.35 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.12 7.95 84.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.4 mmtm -53.09 136.21 36.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p -98.66 160.39 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 21' ' ' SER . 17.8 m-85 -154.0 114.41 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.9 p -44.38 -29.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.08 123.12 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 6.2 tpt180 -48.4 -45.73 36.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 94.6 p -35.16 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.4 tpp180 -89.83 -56.62 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.6 tp -46.62 -54.62 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.01 -52.11 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -64.93 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 34' ' ' VAL . 48.6 t60 -58.41 -42.99 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -56.83 -15.42 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -84.99 -28.41 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.1 m -66.97 -20.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.698 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.0 m-70 -72.17 -25.44 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -107.67 27.16 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.61 38.23 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -127.77 95.09 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -52.41 143.95 25.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 117.68 5.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.302 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -99.31 105.58 17.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.12 -153.23 25.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.39 19.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 t -66.58 143.12 57.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -154.09 128.06 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.458 179.993 . . . . . . . . 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 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -81.16 -52.64 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 t 54.96 42.09 31.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.17 -168.42 15.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -105.68 113.26 26.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -128.43 112.11 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.82 157.74 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -127.34 38.74 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.93 140.43 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -105.26 162.61 13.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.79 157.09 37.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.931 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 3.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.5 m-85 -140.07 167.19 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 13.5 tttm -160.6 147.54 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -77.32 174.02 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.49 -22.18 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.679 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -89.05 -46.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -120.53 -4.88 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.16 8.35 86.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 16.8 mmtt -52.77 133.45 37.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.528 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 p -97.79 156.95 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.2 m-85 -151.42 118.59 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 p -46.85 -30.11 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.67 124.03 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.3 tpt180 -49.31 -46.99 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ARG . 60.5 p -34.38 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.52 -56.28 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -38.76 -52.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.2 t60 -56.96 -39.71 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.72 -14.16 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 mmt -86.12 -29.54 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.4 m -66.42 -20.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -73.08 -24.72 60.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -106.0 -23.61 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.25 41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.38 101.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -52.14 143.79 23.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.53 26.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.391 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 p -88.8 95.53 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.5 -177.13 43.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.89 58.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.8 p -130.14 158.49 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 m -145.61 145.38 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.496 -179.974 . . . . . . . . 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 -0.352 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -94.53 -51.84 4.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -163.25 116.71 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.29 -112.15 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -101.7 42.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -45.69 -49.2 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.98 -164.17 15.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -94.99 149.52 21.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.03 64.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -84.08 166.23 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -46.02 157.75 0.39 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.38 2.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.3 m-85 -140.07 166.38 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -159.21 149.71 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.3 t -79.54 176.09 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.79 -23.11 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.14 -47.68 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.61 -4.4 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.21 10.25 84.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 mmtp -54.67 135.62 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.585 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.79 157.16 16.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.1 116.92 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 23.2 p -45.54 -30.19 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.87 124.1 3.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.6 tpt180 -49.45 -45.35 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.1 m -35.9 -32.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.76 -55.67 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.62 -56.05 8.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -38.92 -52.36 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.08 -40.04 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.953 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.0 t60 -57.25 -40.53 77.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -60.07 -14.73 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -85.72 -25.72 26.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -70.3 -19.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.745 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -74.3 -24.13 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -114.1 -21.16 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.71 83.56 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.054 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.26 130.47 56.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -95.14 158.37 34.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.36 30.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -97.26 88.03 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.84 150.08 5.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 93.42 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.4 t -57.32 131.67 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 t -174.95 148.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.496 -179.997 . . . . . . . . 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 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.55 172.75 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -112.97 42.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.53 120.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -86.78 123.63 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -98.94 114.25 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.26 -147.1 7.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -125.43 150.45 47.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.88 -52.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.48 176.97 3.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -52.28 158.7 1.81 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.561 0.696 . . . . 0.0 110.914 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 4.46 2.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.594 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -140.6 168.32 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 22.6 tttp -160.23 150.85 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.4 174.34 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.98 -22.63 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.696 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.2 mp -89.45 -48.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.5 p -118.48 -3.88 10.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.77 8.82 84.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.2 mmtp -52.4 134.83 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -98.56 156.35 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.9 m-85 -150.88 120.29 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.8 p -48.49 -28.58 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.68 124.66 3.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 2.8 tpt180 -50.52 -45.75 56.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.9 t -34.34 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.09 -55.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.7 tp -45.96 -55.49 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.75 -51.12 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.74 -39.86 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.972 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.4 t60 -57.54 -40.02 77.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -59.88 -13.82 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mmt -87.09 -28.92 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.8 m -66.62 -20.75 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.696 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.0 m-70 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t -106.24 -24.49 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.99 39.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.55 89.31 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -119.2 159.05 46.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.2 6.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -123.96 -42.66 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.29 -159.91 10.39 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 153.16 69.24 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -153.55 137.26 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -112.27 136.97 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.506 179.99 . . . . . . . . 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 1.452 -0.271 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -64.22 117.11 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -76.42 -62.7 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.65 64.31 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -91.02 129.8 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -76.73 121.56 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.66 -132.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -148.43 155.78 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.362 . . . . 0.0 111.117 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.98 -155.32 7.25 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -142.34 176.1 9.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -94.66 156.93 37.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.542 0.686 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.06 2.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -138.93 164.24 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 63.8 tttt -157.07 150.47 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.8 t -80.72 172.68 13.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.15 -21.99 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.759 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.41 -48.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.4 p -119.01 -3.63 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.465 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.23 7.47 84.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.6 mmtp -51.52 134.77 28.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -97.82 158.19 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 21' ' ' SER . 13.1 m-85 -152.54 114.5 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.57 -29.26 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.26 126.53 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -51.66 -46.45 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 85.4 p -35.88 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.49 -54.88 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -47.92 -54.78 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -40.95 -52.06 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -63.17 -39.13 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.965 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -59.06 -40.7 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.1 -14.66 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 mmt -86.04 -27.51 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.67 -20.76 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.759 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.2 m-70 -72.09 -23.75 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -108.56 28.77 8.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.13 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -138.15 156.13 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.8 ttpt -56.85 138.04 78.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.565 0.697 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.68 92.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 p -174.95 164.3 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.05 170.47 20.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 150.32 68.0 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -58.34 -47.24 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -39.98 128.68 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.458 -179.935 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -49.67 -48.42 49.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -85.54 81.61 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.89 -134.38 31.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -133.1 -50.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -61.48 112.99 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.23 91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -112.53 -43.51 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.52 109.71 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 15.0 mp0 -128.44 168.37 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -85.82 161.4 50.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.78 4.47 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.9 m-85 -141.11 168.6 19.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 65.5 tttt -162.35 148.95 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -78.77 175.52 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.81 -21.66 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.76 -46.48 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.74 -4.14 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.69 7.5 83.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.0 mmtm -52.36 135.73 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.8 p -98.42 161.78 13.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 21' ' ' SER . 18.5 m-85 -154.94 112.93 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -45.68 -23.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.24 114.64 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.9 tpt180 -40.82 -41.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 9.2 t -34.52 -37.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ARG . 53.3 mmt-85 -86.8 -54.46 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.2 tp -46.72 -57.33 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -39.3 -52.74 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -65.5 -38.68 90.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.975 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.3 t60 -58.88 -41.38 86.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -59.58 -14.24 12.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -86.14 -26.81 24.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.73 -20.58 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.6 m-70 -74.01 -24.98 59.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -108.31 25.93 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.53 78.31 6.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -128.28 131.37 48.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -89.1 155.1 49.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 m -121.41 122.86 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.28 -162.52 24.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.534 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.42 50.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.24 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.2 m -67.08 171.95 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.4 p -96.14 120.3 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.508 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -49.2 167.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -166.85 143.47 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.75 80.7 1.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -78.6 135.35 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -89.98 -51.48 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.19 -149.34 12.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -147.92 159.2 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.327 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.65 167.52 12.13 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.43 164.13 18.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -72.96 158.09 87.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 4.41 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.6 m-85 -139.91 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.6 tttp -159.5 149.29 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.8 t -78.66 177.1 8.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -23.49 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.69 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.54 -47.95 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.9 p -117.99 -3.76 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.37 10.19 81.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.2 mmtp -54.01 134.88 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.529 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -97.99 157.22 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.9 m-85 -151.65 117.8 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.7 p -46.43 -28.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.27 122.98 2.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -49.17 -43.42 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 24.9 m -35.91 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -90.71 -53.63 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -47.54 -56.4 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -40.76 -50.08 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -65.71 -39.2 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.936 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.7 t60 -57.63 -41.5 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -57.15 -15.15 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -84.2 -26.2 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.6 m -69.57 -20.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.69 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.0 m-70 -73.65 -23.21 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t -115.2 26.78 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.61 44.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.08 46.96 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -43.36 152.18 0.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.91 34.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.38 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -76.67 102.72 6.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.45 165.56 25.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 166.2 28.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 p -90.52 -58.47 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -46.82 -43.63 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.813 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.429 -179.931 . . . . . . . . 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 -0.283 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -86.24 42.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.0 t -100.4 121.34 41.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.59 61.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -83.32 95.39 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -99.98 151.77 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.15 173.46 45.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -60.0 127.74 33.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.19 76.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 37.1 mt-10 -132.99 160.26 37.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -87.75 160.83 46.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.2 m-85 -141.16 166.43 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 67.2 tttt -159.42 149.66 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.8 t -78.94 175.42 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -21.58 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.73 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.56 -47.21 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.25 -4.36 10.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.29 7.02 84.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.9 mmtm -51.8 135.66 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.618 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -98.58 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 21' ' ' SER . 21.0 m-85 -153.8 115.08 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -44.66 -29.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.21 2.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.577 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 11.3 tpt180 -47.91 -46.8 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.2 p -34.15 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.5 tpp180 -86.65 -56.03 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -46.38 -55.02 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -40.6 -52.11 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -63.96 -39.33 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.5 t60 -58.19 -41.36 83.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.2 t -58.61 -14.95 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -85.34 -27.21 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -68.16 -20.78 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.73 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -73.02 -25.06 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.63 39.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -92.7 117.3 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -43.67 156.89 0.28 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.329 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . 89.1 p -34.27 143.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.88 152.7 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.73 2.86 3.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' PRO . 61.9 m -34.33 -43.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.6 t -103.71 87.86 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.487 -179.954 . . . . . . . . 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 1.45 -0.368 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -79.25 -61.3 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -130.08 161.64 30.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.88 55.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p 41.73 42.45 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -91.25 176.95 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 93.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.01 159.14 42.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.109 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.97 110.93 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -105.93 169.98 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -89.18 155.64 49.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 4.58 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.4 m-85 -138.94 165.41 27.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 56.8 tttt -159.09 149.45 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.4 t -79.5 175.92 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.18 -22.9 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.12 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.38 -4.66 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.08 9.56 85.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.3 mmtt -53.64 134.58 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.537 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.6 p -99.53 155.95 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.8 m-85 -150.71 120.48 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 12.0 p -47.72 -31.13 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.96 127.44 4.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 tpt180 -51.76 -45.89 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' ARG . 21.1 t -36.84 -29.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.4 -53.78 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -50.2 -57.98 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.4 m120 -37.83 -52.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -62.64 -41.1 98.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.992 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.7 t60 -57.56 -41.23 80.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -58.56 -13.98 6.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -86.54 -28.78 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.4 m -66.67 -21.55 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.674 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.2 m-70 -71.17 -26.7 63.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -109.32 28.13 8.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.0 38.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -124.24 77.98 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -48.36 153.75 1.24 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.68 0.97 4.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' PRO . 70.9 m -36.98 -53.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.52 148.67 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -96.06 44.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 t -117.13 111.17 19.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.468 -179.958 . . . . . . . . 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 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -54.23 144.16 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -101.75 174.47 5.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.72 104.49 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -51.13 -47.52 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m 52.73 42.46 31.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 92.55 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -104.28 135.34 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.32 99.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -82.3 148.56 28.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -55.72 156.15 9.75 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.82 5.39 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.0 m-85 -139.5 167.49 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.4 tttt -158.37 150.79 21.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.56 174.35 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -21.96 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.738 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.89 -50.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 27.7 p -116.85 -2.53 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.06 5.93 77.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.4 mmtm -48.77 134.74 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -99.45 153.47 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 13.6 m-85 -147.59 123.36 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -49.34 -32.27 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.14 128.56 5.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 3.9 tpt180 -52.42 -45.26 65.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' ARG . 6.9 t -36.65 -30.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.87 -55.85 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.69 -52.75 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -43.45 -51.26 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.5 mmt85 -63.96 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 1.035 ' O ' HG22 ' A' ' 34' ' ' VAL . 45.2 t60 -58.71 -42.42 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -56.31 -18.31 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.5 mmt -81.86 -27.86 33.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.035 HG22 ' O ' ' A' ' 31' ' ' HIS . 7.0 m -69.9 -13.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.738 ' CD2' HD13 ' A' ' 17' ' ' ILE . 60.0 m-70 -79.92 -21.12 44.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -115.13 -24.86 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.71 79.06 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -160.89 171.47 18.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -38.88 159.22 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.81 2.91 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' PRO . 90.9 p -33.95 -46.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.26 146.16 8.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.78 162.68 41.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 m 37.06 40.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -128.16 171.2 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.471 -179.982 . . . . . . . . 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 -0.346 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -47.31 124.93 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 110.823 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -155.67 136.84 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.99 106.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -81.58 46.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -60.48 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.63 74.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 p -118.84 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.25 -109.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -132.94 -176.97 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -90.02 158.15 44.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.61 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -139.92 166.08 25.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 60.9 tttt -158.4 149.33 20.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.9 t -79.68 172.52 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.07 -21.44 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.728 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.51 -47.33 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -120.15 -4.81 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.59 7.1 87.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.6 mmtp -52.01 134.61 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.7 p -98.05 157.11 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 21' ' ' SER . 20.4 m-85 -151.34 119.32 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 26.1 p -47.11 -31.14 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.64 126.88 4.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -50.63 -44.85 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ARG . 18.2 t -35.64 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 tpm_? -89.46 -57.43 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -45.84 -54.68 7.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -41.15 -52.06 3.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -64.46 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.934 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.3 t60 -57.76 -40.24 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.92 -13.38 15.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 mmt -87.25 -25.8 23.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -72.39 -17.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 17' ' ' ILE . 63.9 m-70 -74.71 -25.1 58.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t -107.09 -23.85 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.85 76.13 10.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -120.03 129.67 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.37 144.88 47.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 92.61 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -128.94 155.41 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.49 146.24 8.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 89.19 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 t -114.31 104.35 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -148.64 120.17 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.493 -179.995 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -50.3 -56.31 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.3 m -131.65 83.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.15 47.76 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -123.37 161.62 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -70.09 175.84 4.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.89 -56.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 8' ' ' THR . 10.2 t -77.16 111.19 12.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.151 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.18 -86.2 0.76 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.03 177.09 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 158.59 37.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.506 0.67 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.5 m-85 -140.41 166.9 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 64.1 tttt -158.96 150.94 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.6 t -80.65 175.66 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.59 -23.36 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.72 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.61 -48.9 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -117.05 -3.88 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.56 9.49 82.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmtt -53.54 136.16 38.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.637 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.44 157.37 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 21' ' ' SER . 8.1 m-85 -151.3 117.8 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 p -47.0 -23.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.35 124.13 2.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.2 tpt180 -50.49 -46.14 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' ARG . 56.5 m -34.11 -34.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.05 -52.84 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -48.14 -52.84 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -43.14 -50.46 6.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -64.38 -38.99 92.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.973 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.2 t60 -58.58 -40.3 82.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -58.56 -14.79 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.4 mmt -84.68 -29.16 25.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.7 m -67.53 -18.03 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.72 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.6 m-70 -76.02 -20.15 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 t -113.32 -24.8 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.78 77.65 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -143.14 133.6 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -95.59 153.1 39.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.538 0.685 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 161.89 44.2 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -46.83 -48.96 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.58 163.64 35.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 m -76.41 50.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -94.25 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.482 -179.98 . . . . . . . . 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 -0.313 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -59.74 90.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 t -116.79 157.28 25.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.32 -172.97 31.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -146.49 143.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.82 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 p -43.98 155.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.71 -126.84 2.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -100.71 121.13 41.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.04 44.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.23 179.47 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.76 157.85 43.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.12 166.84 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.37 149.78 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t -78.94 177.47 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.45 -21.86 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.87 -46.61 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -119.24 -4.59 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.89 7.7 84.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -52.66 136.55 32.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -99.74 157.47 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.1 m-85 -150.89 116.4 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.0 p -45.4 -30.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.81 121.58 2.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.9 tpp180 -45.85 -42.69 12.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.7 t -36.75 -35.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -87.32 -53.37 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.7 tp -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.2 m120 -36.07 -53.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.51 -39.78 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.962 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -57.32 -39.32 75.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 t -62.08 -14.32 35.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -85.53 -28.1 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -67.28 -21.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.9 m-70 -72.6 -26.12 61.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -106.27 -22.3 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.79 80.13 9.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -107.72 102.24 11.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -91.57 143.88 28.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.533 0.683 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.22 4.59 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.7 t -98.52 113.59 25.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.793 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.37 167.22 40.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 179.1 3.92 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.9 p -170.86 112.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.6 t -72.84 143.62 47.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.479 -179.964 . . . . . . . . 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 -0.314 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t -63.26 103.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -132.23 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.8 -54.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -119.56 93.88 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -167.78 135.78 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.74 -97.87 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -84.57 143.35 29.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.77 -180.0 45.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.97 -177.67 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.1 mptt -48.76 160.62 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 4.55 2.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 91.6 m-85 -140.67 166.12 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 58.2 tttt -159.61 148.05 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.7 t -78.2 173.15 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.9 -21.75 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.82 -47.54 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.491 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.62 -4.15 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.21 8.05 85.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 17.7 mmtt -52.82 134.65 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.63 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -96.8 161.33 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 21' ' ' SER . 22.9 m-85 -154.52 111.34 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -43.71 -22.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 22' ' ' PHE . . . -142.14 116.55 1.07 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.2 tpt180 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 5.5 t -35.73 -37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -85.26 -53.53 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -47.9 -57.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -38.71 -53.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -64.08 -38.76 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.1 t60 -58.37 -43.95 88.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -57.54 -12.5 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.26 -24.63 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -74.54 -18.05 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.816 ' CD2' HD13 ' A' ' 17' ' ' ILE . 64.9 m-70 -77.87 -16.86 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -122.52 25.97 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.93 38.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -135.7 131.91 36.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -42.84 145.6 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 95.39 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m -68.78 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.83 146.19 5.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.15 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 161.4 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -76.64 -53.84 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.483 -179.956 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -130.55 116.6 18.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -66.74 174.12 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.07 58.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -164.66 118.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -155.59 160.73 40.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.9 52.1 3.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 p -138.57 147.73 43.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -138.32 6.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -85.1 149.55 25.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.826 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -91.72 156.92 42.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.36 2.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.9 m-85 -139.63 168.58 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.88 150.78 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -80.57 175.38 10.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.02 -23.12 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.1 -48.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -118.55 -3.99 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.4 9.53 84.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtp -53.34 135.33 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 p -99.11 154.68 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 27.2 m-85 -149.13 121.8 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -48.59 -31.73 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.56 126.05 4.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 1.7 tpt180 -50.13 -45.44 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t -34.98 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.37 -54.05 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -47.94 -57.54 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -39.03 -51.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -64.25 -40.0 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 56.9 t60 -57.37 -40.9 79.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -59.07 -13.74 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -86.71 -30.79 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.6 m -64.44 -22.39 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.649 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.1 m-70 -69.75 -27.94 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t -107.08 -24.01 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.07 37.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -134.02 138.86 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -114.27 144.67 32.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 162.85 40.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.9 t -100.21 42.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.69 -166.17 2.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.76 5.28 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -134.66 160.54 37.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 t -125.26 -50.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.49 179.988 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -58.21 136.13 57.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -117.57 169.61 9.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.1 -118.54 2.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -159.13 115.83 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -73.99 133.32 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.99 -60.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.3 p -128.83 109.84 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.4 -55.04 0.18 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.25 166.57 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -62.79 157.61 58.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.5 m-85 -139.65 166.91 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.5 tttt -159.5 149.87 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -80.25 173.88 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -118.19 -22.25 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.15 -47.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -119.08 -4.95 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.64 9.06 86.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.0 mmtp -53.85 135.64 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -98.81 157.41 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.9 m-85 -151.73 117.63 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 p -45.24 -32.54 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.89 128.07 5.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.586 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.7 tpt180 -51.92 -47.15 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.0 m -35.71 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.62 -54.52 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.3 tp -50.06 -58.01 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.6 m120 -36.48 -51.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -63.04 -40.77 98.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.964 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.3 t60 -57.2 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -59.99 -13.45 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.3 mmt -88.52 -28.99 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.9 m -67.16 -18.99 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.5 m-70 -73.2 -25.94 60.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -109.13 28.17 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.45 38.66 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -147.79 139.1 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -42.4 149.26 0.47 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.69 3.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.39 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.1 p -57.8 174.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.61 145.11 10.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.94 5.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.7 p -97.84 156.45 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.7 p -130.63 120.74 24.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.458 -179.994 . . . . . . . . 0 0 . 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 -0.326 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p 40.28 41.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -82.74 40.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.45 154.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -82.49 47.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -106.56 133.84 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.67 124.04 2.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -96.22 163.21 13.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.02 158.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -118.83 155.53 31.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -88.92 158.21 47.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 4.75 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.8 m-85 -140.16 165.16 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.8 tttp -157.26 150.9 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.1 t -80.19 176.68 9.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.34 -23.21 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.09 -48.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -117.15 -3.41 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.06 9.63 80.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.8 mmtp -53.5 135.74 39.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.6 p -98.11 156.97 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 21' ' ' SER . 7.3 m-85 -151.19 117.07 5.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 28.8 p -44.45 -28.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.61 123.77 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.9 tpp85 -48.99 -45.63 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -34.5 -33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -91.17 -50.77 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -50.92 -52.15 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -43.67 -49.82 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -64.73 -38.93 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.7 t60 -57.71 -40.94 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -57.84 -13.48 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 36' ' ' THR . 13.9 mmt -86.69 -28.72 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.0 m -67.47 -20.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.68 ' CD2' HD13 ' A' ' 17' ' ' ILE . 68.5 m-70 -71.6 -24.52 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 33' ' ' MET . 12.1 t -105.84 -24.45 12.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.62 81.64 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.48 111.3 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -77.77 152.61 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.708 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 101.89 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 m -162.2 162.28 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.83 -176.79 15.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -87.55 -61.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -63.52 112.2 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.78 4.78 2.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 90.1 m-85 -140.25 165.84 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 35.5 tttp -158.26 150.05 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.4 t -80.58 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.63 -22.28 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.726 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.34 -48.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.2 -4.38 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.81 9.13 85.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.0 mmtt -53.79 135.8 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.593 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 p -98.98 157.24 16.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 21' ' ' SER . 14.7 m-85 -151.1 118.45 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -46.54 -31.36 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.06 125.6 3.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.91 -45.48 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ARG . 2.9 m -35.78 -31.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.8 tpp85 -90.82 -55.17 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -49.51 -57.23 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.486 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.8 m-20 -37.55 -53.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -64.02 -40.2 95.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.957 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t60 -56.93 -40.23 75.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.96 -14.37 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 mmt -86.66 -26.59 24.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.7 m -68.86 -20.68 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.726 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.7 m-70 -72.92 -24.23 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 3.98 2.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.11 167.34 22.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.3 tttt -159.48 150.27 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.3 t -80.14 171.84 14.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.61 -20.92 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.766 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.88 -47.02 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -120.13 -3.87 10.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.57 5.88 83.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtm -50.4 134.83 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.58 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -99.02 157.08 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.21 118.62 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -46.7 -31.68 3.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.3 124.82 4.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.9 tpt180 -50.73 -43.67 58.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.834 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -37.42 -29.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -92.07 -55.8 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.74 -54.12 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.1 m-20 -42.12 -50.35 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 14.5 mmt180 -64.18 -38.53 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.637 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.5 t60 -58.88 -44.61 91.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -56.67 -12.67 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.29 -24.98 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.1 m -74.25 -18.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.766 ' CD2' HD13 ' A' ' 17' ' ' ILE . 59.1 m-70 -74.81 -18.88 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.57 0.7 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.53 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 91.0 m-85 -140.96 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 68.8 tttt -157.96 149.82 21.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.6 t -80.51 171.35 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.22 -20.76 9.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.769 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.1 -46.59 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -121.22 -4.43 9.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.57 5.96 86.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.8 mmtm -51.11 135.31 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.639 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 p -98.49 160.62 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.8 m-85 -154.2 115.47 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.4 p -46.31 -24.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.86 123.16 2.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.29 -45.03 34.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' ARG . 46.7 t -36.16 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.7 tpt180 -88.36 -54.8 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -49.44 -57.78 6.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.9 m-20 -36.67 -53.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -63.91 -40.03 95.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.887 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.4 t60 -57.39 -40.13 77.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -13.48 29.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.28 -24.15 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -73.02 -17.32 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.769 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -77.15 -20.37 55.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.559 0.695 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.77 4.42 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 90.8 m-85 -140.77 165.39 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.6 tttp -158.83 149.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -79.46 175.41 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.66 -21.5 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.698 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -90.22 -46.44 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.2 p -120.32 -4.35 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.12 7.95 84.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.4 mmtm -53.09 136.21 36.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p -98.66 160.39 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 21' ' ' SER . 17.8 m-85 -154.0 114.41 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.9 p -44.38 -29.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.08 123.12 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 6.2 tpt180 -48.4 -45.73 36.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 94.6 p -35.16 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.4 tpp180 -89.83 -56.62 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.6 tp -46.62 -54.62 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -41.01 -52.11 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -64.93 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 34' ' ' VAL . 48.6 t60 -58.41 -42.99 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -56.83 -15.42 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -84.99 -28.41 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.1 m -66.97 -20.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.698 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.0 m-70 -72.17 -25.44 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.537 0.684 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 3.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.5 m-85 -140.07 167.19 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 13.5 tttm -160.6 147.54 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -77.32 174.02 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.49 -22.18 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.679 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -89.05 -46.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -120.53 -4.88 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.16 8.35 86.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 16.8 mmtt -52.77 133.45 37.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.528 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 p -97.79 156.95 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.2 m-85 -151.42 118.59 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 p -46.85 -30.11 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.67 124.03 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.3 tpt180 -49.31 -46.99 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ARG . 60.5 p -34.38 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.52 -56.28 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.503 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -38.76 -52.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.2 t60 -56.96 -39.71 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.72 -14.16 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 mmt -86.12 -29.54 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.4 m -66.42 -20.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -73.08 -24.72 60.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.38 2.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.3 m-85 -140.07 166.38 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -159.21 149.71 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.3 t -79.54 176.09 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.79 -23.11 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.14 -47.68 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.61 -4.4 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.21 10.25 84.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 mmtp -54.67 135.62 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.585 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.79 157.16 16.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.1 116.92 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 23.2 p -45.54 -30.19 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.87 124.1 3.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.6 tpt180 -49.45 -45.35 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.1 m -35.9 -32.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.76 -55.67 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.62 -56.05 8.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -38.92 -52.36 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.08 -40.04 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.953 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.0 t60 -57.25 -40.53 77.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -60.07 -14.73 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -85.72 -25.72 26.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -70.3 -19.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.745 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -74.3 -24.13 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.561 0.696 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 4.46 2.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.594 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -140.6 168.32 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 22.6 tttp -160.23 150.85 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.4 174.34 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.98 -22.63 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.696 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.2 mp -89.45 -48.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.5 p -118.48 -3.88 10.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.77 8.82 84.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.2 mmtp -52.4 134.83 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -98.56 156.35 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.9 m-85 -150.88 120.29 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.8 p -48.49 -28.58 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.68 124.66 3.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 2.8 tpt180 -50.52 -45.75 56.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.9 t -34.34 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.09 -55.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.7 tp -45.96 -55.49 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.2 m-20 -40.75 -51.12 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.74 -39.86 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.972 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.4 t60 -57.54 -40.02 77.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -59.88 -13.82 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mmt -87.09 -28.92 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.8 m -66.62 -20.75 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.696 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.0 m-70 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.542 0.686 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.06 2.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -138.93 164.24 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 63.8 tttt -157.07 150.47 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.8 t -80.72 172.68 13.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.15 -21.99 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.759 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.41 -48.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.4 p -119.01 -3.63 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.465 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.23 7.47 84.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.6 mmtp -51.52 134.77 28.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -97.82 158.19 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 21' ' ' SER . 13.1 m-85 -152.54 114.5 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.57 -29.26 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.26 126.53 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -51.66 -46.45 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 85.4 p -35.88 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.49 -54.88 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -47.92 -54.78 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.501 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.0 m-20 -40.95 -52.06 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -63.17 -39.13 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.965 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -59.06 -40.7 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.1 -14.66 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 mmt -86.04 -27.51 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.67 -20.76 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.759 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.2 m-70 -72.09 -23.75 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.868 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.78 4.47 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.9 m-85 -141.11 168.6 19.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 65.5 tttt -162.35 148.95 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -78.77 175.52 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.81 -21.66 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.76 -46.48 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.74 -4.14 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.69 7.5 83.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.0 mmtm -52.36 135.73 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.8 p -98.42 161.78 13.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 21' ' ' SER . 18.5 m-85 -154.94 112.93 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -45.68 -23.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.24 114.64 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.9 tpt180 -40.82 -41.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 9.2 t -34.52 -37.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ARG . 53.3 mmt-85 -86.8 -54.46 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.2 tp -46.72 -57.33 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 10.8 m-20 -39.3 -52.74 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -65.5 -38.68 90.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.975 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.3 t60 -58.88 -41.38 86.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -59.58 -14.24 12.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -86.14 -26.81 24.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.73 -20.58 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.6 m-70 -74.01 -24.98 59.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 4.41 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.6 m-85 -139.91 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.6 tttp -159.5 149.29 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.8 t -78.66 177.1 8.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -23.49 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.69 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.54 -47.95 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.9 p -117.99 -3.76 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.37 10.19 81.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.2 mmtp -54.01 134.88 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.529 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -97.99 157.22 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.9 m-85 -151.65 117.8 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.7 p -46.43 -28.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.27 122.98 2.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -49.17 -43.42 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 24.9 m -35.91 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -90.71 -53.63 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -47.54 -56.4 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -40.76 -50.08 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -65.71 -39.2 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.936 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.7 t60 -57.63 -41.5 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -57.15 -15.15 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -84.2 -26.2 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.6 m -69.57 -20.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.69 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.0 m-70 -73.65 -23.21 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.569 0.699 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.2 m-85 -141.16 166.43 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 67.2 tttt -159.42 149.66 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.8 t -78.94 175.42 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -21.58 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.73 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.56 -47.21 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.25 -4.36 10.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.29 7.02 84.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.9 mmtm -51.8 135.66 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.618 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -98.58 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 21' ' ' SER . 21.0 m-85 -153.8 115.08 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -44.66 -29.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.21 2.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.577 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 11.3 tpt180 -47.91 -46.8 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.2 p -34.15 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.5 tpp180 -86.65 -56.03 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -46.38 -55.02 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.6 m-20 -40.6 -52.11 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -63.96 -39.33 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.5 t60 -58.19 -41.36 83.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.2 t -58.61 -14.95 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -85.34 -27.21 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -68.16 -20.78 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.73 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -73.02 -25.06 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 4.58 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.4 m-85 -138.94 165.41 27.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 56.8 tttt -159.09 149.45 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.4 t -79.5 175.92 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.18 -22.9 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.12 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.38 -4.66 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.08 9.56 85.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.3 mmtt -53.64 134.58 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.537 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.6 p -99.53 155.95 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.8 m-85 -150.71 120.48 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 12.0 p -47.72 -31.13 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.96 127.44 4.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 tpt180 -51.76 -45.89 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' ARG . 21.1 t -36.84 -29.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.4 -53.78 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -50.2 -57.98 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.8 m-20 -37.83 -52.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -62.64 -41.1 98.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.992 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.7 t60 -57.56 -41.23 80.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -58.56 -13.98 6.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -86.54 -28.78 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.4 m -66.67 -21.55 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.674 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.2 m-70 -71.17 -26.7 63.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.82 5.39 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.0 m-85 -139.5 167.49 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.4 tttt -158.37 150.79 21.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.56 174.35 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -21.96 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.738 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.89 -50.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 27.7 p -116.85 -2.53 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.06 5.93 77.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.4 mmtm -48.77 134.74 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -99.45 153.47 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 13.6 m-85 -147.59 123.36 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -49.34 -32.27 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.14 128.56 5.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' HG3' ' ND2' ' A' ' 29' ' ' ASN . 3.9 tpt180 -52.42 -45.26 65.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' ARG . 6.9 t -36.65 -30.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.87 -55.85 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.69 -52.75 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.502 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.0 m-20 -43.45 -51.26 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.5 mmt85 -63.96 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 1.035 ' O ' HG22 ' A' ' 34' ' ' VAL . 45.2 t60 -58.71 -42.42 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -56.31 -18.31 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.5 mmt -81.86 -27.86 33.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.035 HG22 ' O ' ' A' ' 31' ' ' HIS . 7.0 m -69.9 -13.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.738 ' CD2' HD13 ' A' ' 17' ' ' ILE . 60.0 m-70 -79.92 -21.12 44.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.557 0.694 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.61 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -139.92 166.08 25.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 60.9 tttt -158.4 149.33 20.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.9 t -79.68 172.52 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.07 -21.44 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.728 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.51 -47.33 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -120.15 -4.81 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.59 7.1 87.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.6 mmtp -52.01 134.61 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.7 p -98.05 157.11 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 21' ' ' SER . 20.4 m-85 -151.34 119.32 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 26.1 p -47.11 -31.14 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.64 126.88 4.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -50.63 -44.85 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ARG . 18.2 t -35.64 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 tpm_? -89.46 -57.43 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -45.84 -54.68 7.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.504 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.3 m-20 -41.15 -52.06 3.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -64.46 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.934 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.3 t60 -57.76 -40.24 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.92 -13.38 15.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 mmt -87.25 -25.8 23.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -72.39 -17.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 17' ' ' ILE . 63.9 m-70 -74.71 -25.1 58.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.906 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.506 0.67 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.5 m-85 -140.41 166.9 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 64.1 tttt -158.96 150.94 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.6 t -80.65 175.66 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.59 -23.36 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.72 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.61 -48.9 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -117.05 -3.88 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.56 9.49 82.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmtt -53.54 136.16 38.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.637 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.44 157.37 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 21' ' ' SER . 8.1 m-85 -151.3 117.8 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 p -47.0 -23.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.35 124.13 2.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.2 tpt180 -50.49 -46.14 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' ARG . 56.5 m -34.11 -34.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.05 -52.84 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -48.14 -52.84 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.509 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.7 m-20 -43.14 -50.46 6.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -64.38 -38.99 92.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.973 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.2 t60 -58.58 -40.3 82.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -58.56 -14.79 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.4 mmt -84.68 -29.16 25.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.7 m -67.53 -18.03 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.72 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.6 m-70 -76.02 -20.15 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.12 166.84 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.37 149.78 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t -78.94 177.47 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.45 -21.86 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.87 -46.61 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -119.24 -4.59 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.89 7.7 84.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -52.66 136.55 32.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -99.74 157.47 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.1 m-85 -150.89 116.4 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.0 p -45.4 -30.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.81 121.58 2.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.9 tpp180 -45.85 -42.69 12.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.7 t -36.75 -35.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -87.32 -53.37 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.7 tp -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.498 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.5 m-20 -36.07 -53.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.51 -39.78 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.962 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -57.32 -39.32 75.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 t -62.08 -14.32 35.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -85.53 -28.1 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -67.28 -21.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.9 m-70 -72.6 -26.12 61.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.1 mptt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 4.55 2.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 91.6 m-85 -140.67 166.12 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 58.2 tttt -159.61 148.05 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.7 t -78.2 173.15 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.9 -21.75 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.82 -47.54 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.491 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.62 -4.15 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.21 8.05 85.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 17.7 mmtt -52.82 134.65 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.63 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -96.8 161.33 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 21' ' ' SER . 22.9 m-85 -154.52 111.34 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -43.71 -22.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 22' ' ' PHE . . . -142.14 116.55 1.07 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.2 tpt180 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 5.5 t -35.73 -37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -85.26 -53.53 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.513 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -47.9 -57.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.489 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 11.0 m-20 -38.71 -53.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -64.08 -38.76 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.1 t60 -58.37 -43.95 88.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -57.54 -12.5 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.26 -24.63 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -74.54 -18.05 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.816 ' CD2' HD13 ' A' ' 17' ' ' ILE . 64.9 m-70 -77.87 -16.86 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.36 2.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.9 m-85 -139.63 168.58 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.88 150.78 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -80.57 175.38 10.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.02 -23.12 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.1 -48.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -118.55 -3.99 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.4 9.53 84.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtp -53.34 135.33 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 p -99.11 154.68 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 27.2 m-85 -149.13 121.8 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -48.59 -31.73 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.56 126.05 4.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 1.7 tpt180 -50.13 -45.44 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t -34.98 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.37 -54.05 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -47.94 -57.54 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.1 m-20 -39.03 -51.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -64.25 -40.0 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 56.9 t60 -57.37 -40.9 79.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -59.07 -13.74 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -86.71 -30.79 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.6 m -64.44 -22.39 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.649 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.1 m-70 -69.75 -27.94 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.5 m-85 -139.65 166.91 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.5 tttt -159.5 149.87 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -80.25 173.88 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -118.19 -22.25 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.15 -47.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -119.08 -4.95 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.64 9.06 86.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.0 mmtp -53.85 135.64 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -98.81 157.41 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.9 m-85 -151.73 117.63 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 p -45.24 -32.54 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.89 128.07 5.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.586 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.7 tpt180 -51.92 -47.15 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.0 m -35.71 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.62 -54.52 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.3 tp -50.06 -58.01 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.498 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.7 m-20 -36.48 -51.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -63.04 -40.77 98.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.964 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.3 t60 -57.2 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -59.99 -13.45 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.3 mmt -88.52 -28.99 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.9 m -67.16 -18.99 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.5 m-70 -73.2 -25.94 60.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 4.75 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.8 m-85 -140.16 165.16 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.8 tttp -157.26 150.9 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.1 t -80.19 176.68 9.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.34 -23.21 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.09 -48.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -117.15 -3.41 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.06 9.63 80.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.8 mmtp -53.5 135.74 39.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.6 p -98.11 156.97 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 21' ' ' SER . 7.3 m-85 -151.19 117.07 5.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 28.8 p -44.45 -28.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.61 123.77 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.9 tpp85 -48.99 -45.63 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -34.5 -33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -91.17 -50.77 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -50.92 -52.15 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.501 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.7 m-20 -43.67 -49.82 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -64.73 -38.93 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.7 t60 -57.71 -40.94 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -57.84 -13.48 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 36' ' ' THR . 13.9 mmt -86.69 -28.72 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.0 m -67.47 -20.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.68 ' CD2' HD13 ' A' ' 17' ' ' ILE . 68.5 m-70 -71.6 -24.52 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 33' ' ' MET . 12.1 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -150.54 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -44.14 122.07 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.33 -115.53 2.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m 61.78 42.74 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.89 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -99.28 132.46 44.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 136.43 120.13 1.93 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 7' ' ' GLY . 73.6 p 34.66 41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.96 -145.87 30.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -94.49 -178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.977 0.418 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.16 158.35 79.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.78 4.78 2.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 90.1 m-85 -140.25 165.84 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 35.5 tttp -158.26 150.05 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.4 t -80.58 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.63 -22.28 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.726 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.34 -48.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.2 -4.38 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.81 9.13 85.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.0 mmtt -53.79 135.8 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.593 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 p -98.98 157.24 16.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 21' ' ' SER . 14.7 m-85 -151.1 118.45 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -46.54 -31.36 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.06 125.6 3.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.91 -45.48 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ARG . 2.9 m -35.78 -31.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.8 tpp85 -90.82 -55.17 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -49.51 -57.23 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.486 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.8 m-20 -37.55 -53.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -64.02 -40.2 95.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.957 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t60 -56.93 -40.23 75.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.96 -14.37 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.4 mmt -86.66 -26.59 24.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.7 m -68.86 -20.68 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.726 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.7 m-70 -72.92 -24.23 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -108.1 27.79 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.76 84.55 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -146.49 125.3 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -94.02 153.53 40.81 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.75 24.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -50.62 -50.4 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.82 153.15 39.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 174.0 10.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -120.95 174.72 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 m -107.57 130.26 54.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.489 -179.997 . . . . . . . . 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 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -98.32 99.1 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -149.64 165.06 33.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.05 -117.35 2.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -141.42 106.57 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 m -139.1 125.81 20.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.94 115.62 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -166.23 135.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.167 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.58 116.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.3 pt-20 -110.74 155.05 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -84.47 157.63 61.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 3.98 2.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.11 167.34 22.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.3 tttt -159.48 150.27 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.3 t -80.14 171.84 14.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.61 -20.92 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.766 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.88 -47.02 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -120.13 -3.87 10.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.57 5.88 83.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtm -50.4 134.83 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.58 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -99.02 157.08 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.21 118.62 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -46.7 -31.68 3.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.3 124.82 4.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.9 tpt180 -50.73 -43.67 58.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.834 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -37.42 -29.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -92.07 -55.8 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.829 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.74 -54.12 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.1 m-20 -42.12 -50.35 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 14.5 mmt180 -64.18 -38.53 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.637 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.5 t60 -58.88 -44.61 91.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -56.67 -12.67 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.29 -24.98 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.1 m -74.25 -18.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.766 ' CD2' HD13 ' A' ' 17' ' ' ILE . 59.1 m-70 -74.81 -18.88 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 t -119.91 20.63 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.13 36.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -169.95 -179.46 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -60.31 160.57 16.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 92.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.57 145.4 10.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.01 36.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -172.32 135.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.1 m -61.84 -52.46 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.496 -179.987 . . . . . . . . 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 -0.304 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -109.89 164.72 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -100.46 113.3 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.54 -142.85 7.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -93.07 146.12 23.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -50.07 116.97 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.96 170.37 29.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -156.76 155.03 30.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.23 108.93 2.92 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.92 156.11 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.51 160.52 44.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.53 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE1' ' HD3' ' A' ' 25' ' ' ARG . 91.0 m-85 -140.96 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 68.8 tttt -157.96 149.82 21.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.6 t -80.51 171.35 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.22 -20.76 9.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.769 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -90.1 -46.59 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.5 p -121.22 -4.43 9.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.57 5.96 86.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.8 mmtm -51.11 135.31 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.639 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 p -98.49 160.62 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.8 m-85 -154.2 115.47 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.4 p -46.31 -24.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.86 123.16 2.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 5.9 tpt180 -48.29 -45.03 34.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' ARG . 46.7 t -36.16 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.7 tpt180 -88.36 -54.8 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -49.44 -57.78 6.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.9 m-20 -36.67 -53.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -63.91 -40.03 95.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.887 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.4 t60 -57.39 -40.13 77.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -13.48 29.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.28 -24.15 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -73.02 -17.32 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.769 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -77.15 -20.37 55.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t -107.44 26.42 10.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.98 84.51 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -90.29 90.99 8.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -101.4 144.01 27.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 76.7 p -107.22 129.86 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 38.01 -158.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.01 66.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -75.89 102.87 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -105.31 -43.71 4.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.477 179.98 . . . . . . . . 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 -0.315 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -88.77 158.41 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.813 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -96.16 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.49 111.95 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 p -85.37 99.92 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -164.93 122.48 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 157.24 29.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -116.62 128.53 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 111.208 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -155.4 26.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -140.21 143.25 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -107.98 160.15 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.925 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.77 4.42 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 90.8 m-85 -140.77 165.39 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.6 tttp -158.83 149.28 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -79.46 175.41 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.66 -21.5 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.698 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -90.22 -46.44 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.2 p -120.32 -4.35 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.12 7.95 84.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.4 mmtm -53.09 136.21 36.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p -98.66 160.39 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 21' ' ' SER . 17.8 m-85 -154.0 114.41 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.9 p -44.38 -29.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.08 123.12 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 6.2 tpt180 -48.4 -45.73 36.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 94.6 p -35.16 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ARG . 17.4 tpp180 -89.83 -56.62 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.6 tp -46.62 -54.62 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -41.01 -52.11 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -64.93 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 34' ' ' VAL . 48.6 t60 -58.41 -42.99 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -56.83 -15.42 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -84.99 -28.41 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.1 m -66.97 -20.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.698 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.0 m-70 -72.17 -25.44 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -107.67 27.16 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.61 38.23 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -127.77 95.09 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -52.41 143.95 25.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 117.68 5.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.302 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -99.31 105.58 17.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.12 -153.23 25.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.39 19.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 t -66.58 143.12 57.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -154.09 128.06 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.458 179.993 . . . . . . . . 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 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -81.16 -52.64 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 t 54.96 42.09 31.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.17 -168.42 15.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -105.68 113.26 26.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -128.43 112.11 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.82 157.74 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -127.34 38.74 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.93 140.43 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -105.26 162.61 13.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.79 157.09 37.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.931 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 3.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.371 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.5 m-85 -140.07 167.19 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 13.5 tttm -160.6 147.54 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -77.32 174.02 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.49 -22.18 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.679 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp -89.05 -46.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -120.53 -4.88 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.16 8.35 86.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 16.8 mmtt -52.77 133.45 37.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.528 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 p -97.79 156.95 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.2 m-85 -151.42 118.59 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 p -46.85 -30.11 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.67 124.03 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.3 tpt180 -49.31 -46.99 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ARG . 60.5 p -34.38 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.52 -56.28 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.503 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.4 m-20 -38.76 -52.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 65.2 t60 -56.96 -39.71 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -60.72 -14.16 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 mmt -86.12 -29.54 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.4 m -66.42 -20.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.8 m-70 -73.08 -24.72 60.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -106.0 -23.61 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.25 41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.38 101.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -52.14 143.79 23.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.53 26.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.391 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 p -88.8 95.53 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.5 -177.13 43.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.89 58.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.8 p -130.14 158.49 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 m -145.61 145.38 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.496 -179.974 . . . . . . . . 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 -0.352 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -94.53 -51.84 4.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -163.25 116.71 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.29 -112.15 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -101.7 42.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -45.69 -49.2 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.98 -164.17 15.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -94.99 149.52 21.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.03 64.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -84.08 166.23 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -46.02 157.75 0.39 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 4.38 2.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.3 m-85 -140.07 166.38 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -159.21 149.71 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.3 t -79.54 176.09 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.79 -23.11 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.14 -47.68 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.2 p -118.61 -4.4 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.21 10.25 84.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 mmtp -54.67 135.62 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.585 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.79 157.16 16.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 21' ' ' SER . 16.1 m-85 -151.1 116.92 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 23.2 p -45.54 -30.19 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.87 124.1 3.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.6 tpt180 -49.45 -45.35 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.1 m -35.9 -32.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.76 -55.67 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -47.62 -56.05 8.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -38.92 -52.36 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.08 -40.04 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.953 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.0 t60 -57.25 -40.53 77.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -60.07 -14.73 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -85.72 -25.72 26.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -70.3 -19.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.745 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -74.3 -24.13 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -114.1 -21.16 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.71 83.56 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.054 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.26 130.47 56.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -95.14 158.37 34.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.36 30.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -97.26 88.03 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.84 150.08 5.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 93.42 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.4 t -57.32 131.67 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 t -174.95 148.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.496 -179.997 . . . . . . . . 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 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.55 172.75 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -112.97 42.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.53 120.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -86.78 123.63 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -98.94 114.25 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.26 -147.1 7.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -125.43 150.45 47.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.88 -52.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.48 176.97 3.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -52.28 158.7 1.81 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.561 0.696 . . . . 0.0 110.914 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 4.46 2.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.594 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -140.6 168.32 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 22.6 tttp -160.23 150.85 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.4 174.34 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.98 -22.63 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.696 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.2 mp -89.45 -48.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.5 p -118.48 -3.88 10.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.77 8.82 84.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.2 mmtp -52.4 134.83 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p -98.56 156.35 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.9 m-85 -150.88 120.29 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.8 p -48.49 -28.58 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.68 124.66 3.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 2.8 tpt180 -50.52 -45.75 56.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.9 t -34.34 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.09 -55.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.7 tp -45.96 -55.49 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.2 m-20 -40.75 -51.12 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.74 -39.86 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.972 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.4 t60 -57.54 -40.02 77.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -59.88 -13.82 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mmt -87.09 -28.92 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.8 m -66.62 -20.75 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.696 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.0 m-70 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t -106.24 -24.49 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.99 39.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.55 89.31 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -119.2 159.05 46.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.2 6.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -123.96 -42.66 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.29 -159.91 10.39 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 153.16 69.24 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -153.55 137.26 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -112.27 136.97 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.506 179.99 . . . . . . . . 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 1.452 -0.271 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -64.22 117.11 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -76.42 -62.7 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.65 64.31 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -91.02 129.8 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -76.73 121.56 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.66 -132.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -148.43 155.78 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.362 . . . . 0.0 111.117 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.98 -155.32 7.25 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -142.34 176.1 9.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -94.66 156.93 37.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.542 0.686 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.06 2.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.6 m-85 -138.93 164.24 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 63.8 tttt -157.07 150.47 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.8 t -80.72 172.68 13.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.15 -21.99 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.759 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.41 -48.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.4 p -119.01 -3.63 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.465 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.23 7.47 84.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.6 mmtp -51.52 134.77 28.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.623 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -97.82 158.19 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 21' ' ' SER . 13.1 m-85 -152.54 114.5 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.57 -29.26 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.26 126.53 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -51.66 -46.45 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 85.4 p -35.88 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.49 -54.88 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -47.92 -54.78 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.501 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.0 m-20 -40.95 -52.06 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -63.17 -39.13 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.965 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -59.06 -40.7 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.1 -14.66 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 mmt -86.04 -27.51 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.67 -20.76 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.759 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.2 m-70 -72.09 -23.75 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -108.56 28.77 8.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.13 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -138.15 156.13 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.8 ttpt -56.85 138.04 78.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.565 0.697 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.68 92.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 p -174.95 164.3 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.05 170.47 20.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 150.32 68.0 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -58.34 -47.24 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -39.98 128.68 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.458 -179.935 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -49.67 -48.42 49.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -85.54 81.61 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.89 -134.38 31.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -133.1 -50.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -61.48 112.99 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.23 91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -112.53 -43.51 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.52 109.71 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 15.0 mp0 -128.44 168.37 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -85.82 161.4 50.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.78 4.47 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.9 m-85 -141.11 168.6 19.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 65.5 tttt -162.35 148.95 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -78.77 175.52 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.81 -21.66 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.781 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.76 -46.48 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.74 -4.14 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.69 7.5 83.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' CYS . 7.0 mmtm -52.36 135.73 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.8 p -98.42 161.78 13.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 21' ' ' SER . 18.5 m-85 -154.94 112.93 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -45.68 -23.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.24 114.64 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.9 tpt180 -40.82 -41.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 9.2 t -34.52 -37.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ARG . 53.3 mmt-85 -86.8 -54.46 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.2 tp -46.72 -57.33 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 10.8 m-20 -39.3 -52.74 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -65.5 -38.68 90.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.975 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.3 t60 -58.88 -41.38 86.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -59.58 -14.24 12.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -86.14 -26.81 24.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -68.73 -20.58 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.6 m-70 -74.01 -24.98 59.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -108.31 25.93 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.53 78.31 6.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -128.28 131.37 48.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -89.1 155.1 49.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 m -121.41 122.86 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.28 -162.52 24.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.534 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.42 50.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.24 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.2 m -67.08 171.95 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.4 p -96.14 120.3 36.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.508 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -49.2 167.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -166.85 143.47 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.75 80.7 1.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -78.6 135.35 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -89.98 -51.48 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.19 -149.34 12.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -147.92 159.2 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.327 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.65 167.52 12.13 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.43 164.13 18.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -72.96 158.09 87.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 4.41 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.6 m-85 -139.91 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.6 tttp -159.5 149.29 18.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.8 t -78.66 177.1 8.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -23.49 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.69 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.54 -47.95 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.9 p -117.99 -3.76 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.37 10.19 81.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.2 mmtp -54.01 134.88 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.529 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -97.99 157.22 16.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 31.9 m-85 -151.65 117.8 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.7 p -46.43 -28.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.27 122.98 2.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -49.17 -43.42 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 24.9 m -35.91 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -90.71 -53.63 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -47.54 -56.4 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.9 m-20 -40.76 -50.08 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -65.71 -39.2 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.936 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.7 t60 -57.63 -41.5 81.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -57.15 -15.15 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -84.2 -26.2 28.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.6 m -69.57 -20.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.69 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.0 m-70 -73.65 -23.21 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t -115.2 26.78 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.61 44.36 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.08 46.96 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -43.36 152.18 0.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.91 34.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.38 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -76.67 102.72 6.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.45 165.56 25.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 166.2 28.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 p -90.52 -58.47 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -46.82 -43.63 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.813 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.429 -179.931 . . . . . . . . 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 -0.283 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -86.24 42.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.0 t -100.4 121.34 41.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.59 61.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -83.32 95.39 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -99.98 151.77 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.15 173.46 45.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -60.0 127.74 33.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.19 76.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 37.1 mt-10 -132.99 160.26 37.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -87.75 160.83 46.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.2 m-85 -141.16 166.43 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 67.2 tttt -159.42 149.66 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.8 t -78.94 175.42 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -21.58 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.73 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.56 -47.21 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 28.1 p -119.25 -4.36 10.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.29 7.02 84.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.9 mmtm -51.8 135.66 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.618 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -98.58 159.99 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 21' ' ' SER . 21.0 m-85 -153.8 115.08 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -44.66 -29.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.21 2.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.577 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 11.3 tpt180 -47.91 -46.8 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.2 p -34.15 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.5 tpp180 -86.65 -56.03 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -46.38 -55.02 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.6 m-20 -40.6 -52.11 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -63.96 -39.33 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.5 t60 -58.19 -41.36 83.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.2 t -58.61 -14.95 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -85.34 -27.21 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -68.16 -20.78 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.73 ' CD2' HD13 ' A' ' 17' ' ' ILE . 75.5 m-70 -73.02 -25.06 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.63 39.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -92.7 117.3 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -43.67 156.89 0.28 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.329 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . 89.1 p -34.27 143.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.88 152.7 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.73 2.86 3.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' PRO . 61.9 m -34.33 -43.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.6 t -103.71 87.86 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.487 -179.954 . . . . . . . . 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 1.45 -0.368 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -79.25 -61.3 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -130.08 161.64 30.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.88 55.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p 41.73 42.45 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -91.25 176.95 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 93.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.01 159.14 42.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.109 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.97 110.93 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -105.93 169.98 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -89.18 155.64 49.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 4.58 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.4 m-85 -138.94 165.41 27.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 56.8 tttt -159.09 149.45 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.4 t -79.5 175.92 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.18 -22.9 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -89.12 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.38 -4.66 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.08 9.56 85.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.3 mmtt -53.64 134.58 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.537 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.6 p -99.53 155.95 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.8 m-85 -150.71 120.48 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 12.0 p -47.72 -31.13 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.96 127.44 4.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 tpt180 -51.76 -45.89 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' ARG . 21.1 t -36.84 -29.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.4 -53.78 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.1 tp -50.2 -57.98 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.8 m-20 -37.83 -52.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -62.64 -41.1 98.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.992 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.7 t60 -57.56 -41.23 80.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -58.56 -13.98 6.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -86.54 -28.78 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.4 m -66.67 -21.55 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.674 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.2 m-70 -71.17 -26.7 63.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -109.32 28.13 8.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.0 38.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -124.24 77.98 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -48.36 153.75 1.24 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.68 0.97 4.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' PRO . 70.9 m -36.98 -53.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.52 148.67 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -96.06 44.53 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 t -117.13 111.17 19.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.468 -179.958 . . . . . . . . 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 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -54.23 144.16 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -101.75 174.47 5.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.72 104.49 0.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -51.13 -47.52 62.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m 52.73 42.46 31.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 92.55 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -104.28 135.34 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.32 99.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -82.3 148.56 28.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -55.72 156.15 9.75 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.867 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.82 5.39 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.0 m-85 -139.5 167.49 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.4 tttt -158.37 150.79 21.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.2 t -80.56 174.35 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -21.96 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.738 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.3 mp -90.89 -50.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 27.7 p -116.85 -2.53 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.06 5.93 77.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.4 mmtm -48.77 134.74 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 p -99.45 153.47 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 13.6 m-85 -147.59 123.36 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -49.34 -32.27 10.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.14 128.56 5.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' HG3' ' ND2' ' A' ' 29' ' ' ASN . 3.9 tpt180 -52.42 -45.26 65.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' ARG . 6.9 t -36.65 -30.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -91.87 -55.85 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -46.69 -52.75 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.502 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.0 m-20 -43.45 -51.26 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 13.5 mmt85 -63.96 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 1.035 ' O ' HG22 ' A' ' 34' ' ' VAL . 45.2 t60 -58.71 -42.42 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -56.31 -18.31 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.5 mmt -81.86 -27.86 33.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.035 HG22 ' O ' ' A' ' 31' ' ' HIS . 7.0 m -69.9 -13.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.738 ' CD2' HD13 ' A' ' 17' ' ' ILE . 60.0 m-70 -79.92 -21.12 44.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -115.13 -24.86 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.71 79.06 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -160.89 171.47 18.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -38.88 159.22 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.81 2.91 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' PRO . 90.9 p -33.95 -46.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.26 146.16 8.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.78 162.68 41.15 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 m 37.06 40.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -128.16 171.2 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.471 -179.982 . . . . . . . . 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 -0.346 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -47.31 124.93 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 110.823 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -155.67 136.84 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.99 106.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -81.58 46.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -60.48 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.63 74.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 p -118.84 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.25 -109.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -132.94 -176.97 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -90.02 158.15 44.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.61 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 89.1 m-85 -139.92 166.08 25.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 60.9 tttt -158.4 149.33 20.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.9 t -79.68 172.52 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.07 -21.44 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.728 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.51 -47.33 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -120.15 -4.81 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 77.59 7.1 87.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.6 mmtp -52.01 134.61 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.57 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.7 p -98.05 157.11 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 21' ' ' SER . 20.4 m-85 -151.34 119.32 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 26.1 p -47.11 -31.14 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.64 126.88 4.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.0 tpt180 -50.63 -44.85 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ARG . 18.2 t -35.64 -32.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 tpm_? -89.46 -57.43 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.9 tp -45.84 -54.68 7.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.504 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.3 m-20 -41.15 -52.06 3.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -64.46 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.934 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.3 t60 -57.76 -40.24 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -60.92 -13.38 15.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.5 mmt -87.25 -25.8 23.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -72.39 -17.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 17' ' ' ILE . 63.9 m-70 -74.71 -25.1 58.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t -107.09 -23.85 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.85 76.13 10.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -120.03 129.67 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.37 144.88 47.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 92.61 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -128.94 155.41 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.49 146.24 8.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 89.19 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 t -114.31 104.35 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -148.64 120.17 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.493 -179.995 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -50.3 -56.31 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.3 m -131.65 83.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.15 47.76 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -123.37 161.62 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -70.09 175.84 4.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.89 -56.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 8' ' ' THR . 10.2 t -77.16 111.19 12.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.151 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.18 -86.2 0.76 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.03 177.09 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 158.59 37.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.506 0.67 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.77 4.9 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.332 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 90.5 m-85 -140.41 166.9 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 64.1 tttt -158.96 150.94 21.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.6 t -80.65 175.66 10.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.59 -23.36 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.72 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.61 -48.9 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -117.05 -3.88 11.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.56 9.49 82.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmtt -53.54 136.16 38.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.637 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -98.44 157.37 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 21' ' ' SER . 8.1 m-85 -151.3 117.8 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.6 p -47.0 -23.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.35 124.13 2.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.2 tpt180 -50.49 -46.14 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' ARG . 56.5 m -34.11 -34.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -89.05 -52.84 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 tp -48.14 -52.84 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.509 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 14.7 m-20 -43.14 -50.46 6.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -64.38 -38.99 92.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.973 ' O ' HG22 ' A' ' 34' ' ' VAL . 58.2 t60 -58.58 -40.3 82.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -58.56 -14.79 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.4 mmt -84.68 -29.16 25.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.7 m -67.53 -18.03 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.72 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.6 m-70 -76.02 -20.15 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 t -113.32 -24.8 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.78 77.65 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -143.14 133.6 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -95.59 153.1 39.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.538 0.685 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 161.89 44.2 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -46.83 -48.96 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.58 163.64 35.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 m -76.41 50.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -94.25 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.482 -179.98 . . . . . . . . 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 -0.313 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -59.74 90.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 t -116.79 157.28 25.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.32 -172.97 31.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -146.49 143.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.82 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 p -43.98 155.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.71 -126.84 2.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -100.71 121.13 41.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.04 44.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.23 179.47 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.76 157.85 43.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.6 m-85 -140.12 166.84 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.37 149.78 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t -78.94 177.47 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.45 -21.86 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.87 -46.61 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -119.24 -4.59 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.89 7.7 84.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' CYS . 6.9 mmtm -52.66 136.55 32.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p -99.74 157.47 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.1 m-85 -150.89 116.4 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.0 p -45.4 -30.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.81 121.58 2.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.9 tpp180 -45.85 -42.69 12.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.7 t -36.75 -35.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -87.32 -53.37 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.7 tp -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.498 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.5 m-20 -36.07 -53.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.51 -39.78 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.962 ' O ' HG22 ' A' ' 34' ' ' VAL . 59.5 t60 -57.32 -39.32 75.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 t -62.08 -14.32 35.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.9 mmt -85.53 -28.1 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -67.28 -21.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 77.9 m-70 -72.6 -26.12 61.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -106.27 -22.3 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.79 80.13 9.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -107.72 102.24 11.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -91.57 143.88 28.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.533 0.683 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.22 4.59 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.7 t -98.52 113.59 25.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.793 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.37 167.22 40.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 179.1 3.92 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.398 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.9 p -170.86 112.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.6 t -72.84 143.62 47.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.479 -179.964 . . . . . . . . 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 -0.314 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t -63.26 103.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -132.23 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.8 -54.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -119.56 93.88 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -167.78 135.78 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.74 -97.87 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -84.57 143.35 29.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.77 -180.0 45.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.97 -177.67 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.1 mptt -48.76 160.62 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 4.55 2.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 91.6 m-85 -140.67 166.12 25.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 58.2 tttt -159.61 148.05 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.7 t -78.2 173.15 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.9 -21.75 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 35' ' ' HIS . 2.9 mp -89.82 -47.54 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.491 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.8 p -119.62 -4.15 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.21 8.05 85.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' CYS . 17.7 mmtt -52.82 134.65 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.63 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 p -96.8 161.33 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 21' ' ' SER . 22.9 m-85 -154.52 111.34 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.1 p -43.71 -22.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 22' ' ' PHE . . . -142.14 116.55 1.07 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.2 tpt180 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' ARG . 5.5 t -35.73 -37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -85.26 -53.53 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -47.9 -57.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.489 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 11.0 m-20 -38.71 -53.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -64.08 -38.76 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.1 t60 -58.37 -43.95 88.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -57.54 -12.5 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mmt -86.26 -24.63 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -74.54 -18.05 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.816 ' CD2' HD13 ' A' ' 17' ' ' ILE . 64.9 m-70 -77.87 -16.86 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -122.52 25.97 8.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.93 38.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -135.7 131.91 36.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -42.84 145.6 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 95.39 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m -68.78 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.83 146.19 5.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.15 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 161.4 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -76.64 -53.84 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.483 -179.956 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -130.55 116.6 18.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -66.74 174.12 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.07 58.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -164.66 118.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -155.59 160.73 40.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.9 52.1 3.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 p -138.57 147.73 43.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -138.32 6.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -85.1 149.55 25.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -91.72 156.92 42.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 4.36 2.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 87.9 m-85 -139.63 168.58 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 70.6 tttt -159.88 150.78 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t -80.57 175.38 10.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.02 -23.12 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -89.1 -48.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.4 p -118.55 -3.99 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 75.4 9.53 84.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 6.7 mmtp -53.34 135.33 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.5 p -99.11 154.68 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 27.2 m-85 -149.13 121.8 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 p -48.59 -31.73 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.56 126.05 4.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 1.7 tpt180 -50.13 -45.44 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t -34.98 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -89.37 -54.05 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -47.94 -57.54 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 15.1 m-20 -39.03 -51.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -64.25 -40.0 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.974 ' O ' HG22 ' A' ' 34' ' ' VAL . 56.9 t60 -57.37 -40.9 79.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -59.07 -13.74 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -86.71 -30.79 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.6 m -64.44 -22.39 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.649 ' CD2' HD13 ' A' ' 17' ' ' ILE . 74.1 m-70 -69.75 -27.94 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.5 t -107.08 -24.01 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.07 37.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -134.02 138.86 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -114.27 144.67 32.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 162.85 40.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.9 t -100.21 42.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.69 -166.17 2.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 117.76 5.28 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -134.66 160.54 37.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 t -125.26 -50.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.49 179.988 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -58.21 136.13 57.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -117.57 169.61 9.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.1 -118.54 2.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -159.13 115.83 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -73.99 133.32 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.99 -60.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.3 p -128.83 109.84 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.4 -55.04 0.18 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.25 166.57 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' N ' ' HE3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -62.79 157.61 58.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.2 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 25' ' ' ARG . 88.5 m-85 -139.65 166.91 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 62.5 tttt -159.5 149.87 19.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t -80.25 173.88 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -118.19 -22.25 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.0 mp -89.15 -47.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.7 p -119.08 -4.95 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 76.64 9.06 86.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.0 mmtp -53.85 135.64 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 p -98.81 157.41 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.9 m-85 -151.73 117.63 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 p -45.24 -32.54 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.89 128.07 5.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.586 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 5.7 tpt180 -51.92 -47.15 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ARG . 4.0 m -35.71 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -88.62 -54.52 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.3 tp -50.06 -58.01 6.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.498 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 16.7 m-20 -36.48 -51.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -63.04 -40.77 98.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.964 ' O ' HG22 ' A' ' 34' ' ' VAL . 70.3 t60 -57.2 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -59.99 -13.45 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.3 mmt -88.52 -28.99 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.9 m -67.16 -18.99 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.747 ' CD2' HD13 ' A' ' 17' ' ' ILE . 71.5 m-70 -73.2 -25.94 60.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -109.13 28.17 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.45 38.66 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -147.79 139.1 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -42.4 149.26 0.47 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.69 3.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.39 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.1 p -57.8 174.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.61 145.11 10.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.94 5.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.7 p -97.84 156.45 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.7 p -130.63 120.74 24.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.458 -179.994 . . . . . . . . 0 0 . 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 -0.326 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p 40.28 41.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -82.74 40.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.45 154.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -82.49 47.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -106.56 133.84 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.67 124.04 2.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -96.22 163.21 13.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.02 158.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -118.83 155.53 31.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -88.92 158.21 47.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 4.75 2.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.8 m-85 -140.16 165.16 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.8 tttp -157.26 150.9 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.1 t -80.19 176.68 9.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.34 -23.21 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 35' ' ' HIS . 3.4 mp -90.09 -48.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 29.3 p -117.15 -3.41 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 15' ' ' CYS . . . 74.06 9.63 80.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.8 mmtp -53.5 135.74 39.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.6 p -98.11 156.97 16.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 21' ' ' SER . 7.3 m-85 -151.19 117.07 5.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 28.8 p -44.45 -28.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.61 123.77 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.9 tpp85 -48.99 -45.63 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t -34.5 -33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -91.17 -50.77 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -50.92 -52.15 45.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.501 ' ND2' ' HG3' ' A' ' 25' ' ' ARG . 17.7 m-20 -43.67 -49.82 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -64.73 -38.93 92.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 54.7 t60 -57.71 -40.94 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -57.84 -13.48 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 36' ' ' THR . 13.9 mmt -86.69 -28.72 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.0 m -67.47 -20.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.68 ' CD2' HD13 ' A' ' 17' ' ' ILE . 68.5 m-70 -71.6 -24.52 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 33' ' ' MET . 12.1 t -105.84 -24.45 12.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.62 81.64 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.48 111.3 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -77.77 152.61 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.708 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 101.89 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 m -162.2 162.28 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.83 -176.79 15.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -87.55 -61.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -63.52 112.2 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_