data_2ege_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 2ege _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 ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -125.31 119.05 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.9 mmm -132.43 160.14 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -120.39 140.68 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.53 101.72 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.79 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -139.42 163.36 32.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.81 103.15 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -92.45 117.17 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.45 73.98 8.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.09 138.95 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.11 116.73 21.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 mt -104.57 155.82 18.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -123.75 151.03 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.61 26.06 8.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -97.59 102.22 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.18 99.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -103.79 145.48 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.1 ttm -100.93 124.69 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.7 m -106.73 173.51 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -146.89 137.53 23.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.72 179.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -177.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -101.12 -176.27 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.36 -38.29 73.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -70.1 -25.51 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.82 35.76 4.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -112.47 137.74 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -93.59 164.38 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.52 98.31 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.76 -174.84 13.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.45 135.6 19.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -132.39 107.05 8.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.39 29.17 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.17 76.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -128.03 115.13 18.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -86.27 157.46 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.78 175.6 34.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.4 mt -82.01 127.54 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 156.16 44.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.86 11.63 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -117.57 -29.02 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.98 -29.88 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.13 166.24 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -135.81 133.78 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -76.03 103.89 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.1 mt -122.49 121.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mmm -133.42 163.34 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.5 mt -125.04 140.89 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 101.78 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.02 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.38 162.96 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.64 105.43 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -95.18 119.33 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -119.65 74.02 17.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.33 119.56 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -109.97 158.73 17.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -126.3 155.1 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.91 25.93 8.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.85 102.16 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.72 101.94 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.96 144.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.9 ttm -98.55 125.24 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -107.32 174.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -147.75 137.93 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.68 -179.08 1.02 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 178.4 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.64 179.84 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.77 -33.56 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -75.33 -25.83 58.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.21 36.43 3.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -114.38 142.48 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -98.59 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -104.05 96.67 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.32 -175.0 13.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.46 135.61 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -133.36 113.7 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.34 25.75 30.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.52 20.56 68.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -129.04 116.83 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -83.69 156.54 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.52 174.45 32.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.05 142.61 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.83 155.93 79.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 125.36 12.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.16 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -114.24 -27.1 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.11 -27.2 30.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.67 166.84 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -136.06 133.0 36.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -75.91 103.9 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.3 mtm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -116.33 120.39 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.7 mmm -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -124.37 140.71 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.52 102.92 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 -22.31 64.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.37 162.13 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.67 105.93 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -96.14 111.9 23.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -115.6 73.57 4.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -99.6 137.77 37.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.56 113.15 20.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -101.23 157.32 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -124.14 151.06 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.38 103.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.26 25.49 9.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -96.54 102.17 13.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.1 95.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.91 144.42 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttm -100.2 126.25 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.65 172.53 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -145.9 142.5 28.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.19 -178.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -92.76 179.42 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.36 -35.62 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.51 -25.82 61.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.68 38.31 2.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -115.16 141.09 48.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -97.36 161.78 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.79 98.66 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.15 -174.22 13.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -150.46 135.76 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tp -129.84 111.59 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.43 25.1 34.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.63 19.57 65.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -126.06 111.88 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -82.64 158.76 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.72 169.54 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.54 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.67 156.23 46.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.91 19.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -116.92 -27.64 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -83.13 -29.62 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.84 166.43 17.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.02 134.79 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -76.65 103.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.7 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tttp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.26 122.27 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -135.01 159.3 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.1 mt -120.18 140.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.79 101.71 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.36 59.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.73 163.63 32.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.58 104.62 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.99 117.91 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -118.96 73.78 12.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.705 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -98.61 130.2 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.34 121.47 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -111.31 158.56 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -126.28 154.49 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.59 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.22 26.42 7.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -97.41 103.88 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.68 101.97 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.55 146.57 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 ttm -102.19 123.64 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -112.62 165.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.01 147.33 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.25 176.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -171.03 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.28 171.58 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -170.71 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -69.42 -30.01 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -77.97 -27.42 49.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.08 44.29 1.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -121.78 141.03 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -99.46 163.62 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -106.79 99.82 9.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.93 -175.48 14.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.84 135.66 22.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -133.07 111.71 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.4 23.77 35.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.18 19.7 64.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -127.31 115.24 18.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -85.71 157.32 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.03 179.55 37.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.88 130.8 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.31 156.25 47.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 126.46 13.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 8.86 25.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -116.37 -25.73 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.48 -28.28 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.54 166.5 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.17 136.22 39.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -77.24 103.67 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.3 mt -115.43 123.1 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmm -134.04 158.29 43.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.09 140.47 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.09 101.95 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -21.25 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.93 162.68 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.86 105.97 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -96.02 117.98 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.81 73.73 12.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -97.41 131.43 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.4 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.4 mt -104.34 159.73 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -127.7 155.28 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 101.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.64 25.3 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.83 102.89 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.88 101.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.62 146.24 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.22 126.02 49.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -113.82 164.36 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.8 148.69 47.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.5 177.89 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.63 171.13 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 177.64 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.73 -33.9 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.01 -26.48 59.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.06 41.41 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -118.88 140.67 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.46 163.85 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -108.09 100.42 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.74 -172.4 13.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -149.09 136.34 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -131.9 106.1 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.95 31.16 10.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.85 20.18 78.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -127.26 113.32 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -84.59 160.62 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.53 176.31 30.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.0 mt -82.47 131.69 35.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.82 156.13 50.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.98 13.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.52 10.78 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.19 -29.71 24.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.12 165.07 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -135.14 136.43 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.56 103.56 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.7 mtm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 mt -115.61 121.15 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 mmm -133.11 159.36 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -121.13 140.94 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 101.59 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.32 -21.42 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -139.49 163.61 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.41 103.73 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.38 112.47 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -115.36 73.83 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.282 . . . . 0.0 112.294 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.2 mt -97.69 131.83 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.9 118.67 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -108.88 158.5 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -125.96 154.28 43.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 102.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.75 25.93 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -96.64 102.65 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.46 99.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.36 144.47 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.6 ttm -99.25 127.8 45.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 m -111.17 171.58 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -144.61 142.16 29.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.1 -177.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.706 2.27 . . . . 0.0 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.32 179.9 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.58 178.83 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -59.23 -34.2 71.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.96 -25.64 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.02 39.2 2.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -117.14 139.9 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.9 161.51 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -106.73 99.83 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.61 -172.81 13.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.44 140.0 23.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.91 118.57 18.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.33 -13.89 62.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.78 4.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -127.8 117.4 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -80.51 158.96 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.61 177.5 36.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.31 127.29 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.64 156.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 128.07 15.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.78 11.32 20.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -116.81 -26.56 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.07 -27.62 28.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.44 166.22 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -135.39 135.14 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -78.1 103.66 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.5 mt -124.14 121.68 62.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.7 mmm -133.57 162.73 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.0 mt -123.73 140.76 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.45 101.83 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.64 -21.68 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.07 163.69 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.57 103.84 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -93.46 114.65 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -115.61 73.84 4.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.36 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.88 0.372 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.85 134.79 45.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 112.19 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.1 mt -99.69 157.39 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -125.72 154.49 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.1 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.65 26.82 7.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -97.62 103.69 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -71.47 102.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.08 144.67 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.5 ttm -100.78 122.55 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.44 162.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -131.0 130.19 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.86 -174.12 4.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -178.19 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.98 -179.51 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -59.53 -35.81 74.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.6 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.94 39.5 2.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -117.46 139.05 51.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -95.77 163.09 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.28 99.49 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.69 -169.53 11.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -147.76 139.43 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -138.51 105.13 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 20.83 24.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.84 19.22 59.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -129.7 122.34 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -89.99 154.97 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.39 174.96 35.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.11 129.42 34.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.32 156.25 47.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 127.68 14.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.68 21.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -116.75 -26.45 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.83 -27.38 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.12 167.11 18.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -136.68 136.2 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -78.88 103.6 8.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -117.6 120.16 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 mmm -133.05 159.32 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.08 140.92 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.72 101.69 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -21.5 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.45 163.22 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.29 102.3 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.58 112.13 23.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.74 73.74 2.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.63 2.22 . . . . 0.0 112.387 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.61 132.76 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 120.02 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -107.58 155.79 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -124.41 150.87 45.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.65 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.62 25.92 8.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -97.18 102.2 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.39 99.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.76 144.63 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.0 ttm -99.96 127.78 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -110.59 172.86 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -146.07 141.09 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.16 -178.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.82 178.18 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.75 -171.46 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -67.2 -34.05 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.41 -25.96 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 39.9 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -116.83 140.29 49.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -96.81 160.79 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -106.0 100.36 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.02 -172.88 13.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.13 140.23 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -135.61 119.87 17.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.95 -13.34 63.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.83 16.44 4.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -127.77 125.45 39.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -88.48 156.37 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.41 -179.32 40.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.0 mt -87.02 127.46 35.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.7 156.16 45.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.75 15.07 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.48 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -116.89 -26.81 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.3 mt -83.19 -27.79 29.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.32 166.26 20.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.38 135.22 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -77.44 103.68 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.8 mtm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.5 mt -120.65 122.83 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.4 mmm -133.89 163.4 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -126.36 140.79 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 104.39 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.23 -18.14 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.56 162.37 35.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.22 94.17 6.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -83.93 117.97 23.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -125.0 73.74 65.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.559 0.695 . . . . 0.0 110.809 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.246 . . . . 0.0 112.349 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.84 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 mt -103.47 131.0 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 108.97 17.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.16 162.89 13.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.84 156.66 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.21 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.98 26.96 7.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.48 103.53 15.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.47 99.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.3 144.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.4 ttm -99.91 124.49 45.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.44 173.59 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -144.28 138.51 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.63 -177.32 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.88 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.92 179.75 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.21 -171.66 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.59 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.67 39.7 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -117.24 138.41 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -95.31 160.53 14.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -106.2 101.11 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.11 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -149.52 135.78 19.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 tp -133.2 114.4 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 52.9 16.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.09 22.23 54.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -125.94 111.3 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -93.05 160.87 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 172.68 22.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 mt -76.78 130.91 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.3 156.2 45.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 127.08 14.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.28 9.02 24.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -115.45 -25.68 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.4 mt -84.98 -28.32 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.51 165.36 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.42 136.09 43.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -78.58 103.6 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.307 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 mt -115.17 123.57 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 mmm -135.21 159.99 39.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.3 mt -121.32 140.77 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 101.98 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.78 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.13 163.35 32.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.55 104.47 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.42 116.54 28.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -116.65 73.89 6.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.622 2.215 . . . . 0.0 112.396 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.1 128.97 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 118.77 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -107.12 158.05 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 151.82 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.41 103.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.35 27.55 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -97.77 107.48 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.1 102.22 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -109.34 143.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 ttm -99.92 120.35 39.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -100.85 163.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.11 137.22 47.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.3 -174.28 0.35 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.651 2.234 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.22 176.07 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.06 -171.61 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.07 -31.5 70.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.08 -25.86 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.87 40.0 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -118.4 136.94 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.84 100.06 9.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.23 -174.15 13.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.11 142.89 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 tp -144.67 105.12 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.15 20.92 29.01 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.01 23.59 51.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -134.64 119.19 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.62 155.07 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.95 -176.63 42.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -88.88 128.2 35.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.21 156.25 45.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 127.78 15.07 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.746 2.298 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.27 10.47 22.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -115.67 -25.92 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.4 mt -85.04 -26.58 26.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.65 167.35 18.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.94 138.21 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -81.51 103.37 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -117.6 122.78 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.3 mmm -134.5 160.01 39.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -121.82 140.52 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.27 101.79 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.75 -20.66 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.75 163.08 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.57 103.36 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -93.11 115.75 28.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -117.33 73.78 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.72 131.85 50.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.89 113.21 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.85 161.3 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -129.25 156.93 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.9 101.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.33 6.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.65 104.96 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.44 103.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 145.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.2 ttm -100.92 119.93 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.17 166.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.33 137.16 43.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.63 -174.33 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.33 176.1 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.1 178.29 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.66 -34.52 69.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -74.12 -25.73 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.75 38.58 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.43 136.85 52.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -93.39 163.59 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -108.57 98.48 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.75 -176.19 14.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.02 142.28 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tp -141.92 108.08 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.07 20.4 33.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.19 24.28 48.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -137.92 119.85 15.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -84.74 162.49 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.9 27.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.87 127.88 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.92 156.3 45.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.67 14.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.56 10.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -116.48 -26.13 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.7 -26.24 27.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.59 166.57 21.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.07 136.74 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -79.42 103.55 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.747 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mt -119.08 122.7 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmm -134.54 160.44 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -122.23 140.85 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.61 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.38 -21.41 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.34 163.73 31.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -84.06 103.87 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.3 114.76 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -116.45 73.66 5.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.83 123.8 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.2 157.65 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -126.0 152.99 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.8 103.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.46 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -97.03 105.33 17.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 102.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.18 144.56 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.4 ttm -99.61 120.66 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -136.08 136.87 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.93 -174.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.603 2.202 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.13 175.81 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -170.85 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.4 -33.29 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -74.95 -25.37 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.09 38.16 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -116.9 137.12 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -93.76 164.46 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -109.84 100.87 9.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.41 -173.15 14.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 143.52 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 tp -141.62 118.51 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.08 -13.39 63.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.5 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -128.92 127.94 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -91.34 153.9 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 168.97 -175.72 43.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.03 128.41 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.83 156.29 45.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.37 10.73 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -116.4 -25.83 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.95 -27.37 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.44 166.36 20.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -135.68 136.87 41.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.64 103.47 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.55 117.92 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 mmm -130.82 145.59 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -108.51 140.01 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.52 102.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.15 -21.62 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.25 161.71 37.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.91 109.01 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -100.07 114.43 27.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.22 73.62 7.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.45 134.7 44.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.41 116.32 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.2 mt -103.19 159.1 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -127.51 150.63 49.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.28 104.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.32 25.24 9.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -96.74 103.87 15.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.41 98.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.33 143.8 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -102.08 129.23 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 m -111.18 175.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -147.69 136.96 22.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.59 -177.38 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 177.86 4.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -170.73 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.39 -33.87 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -73.36 -25.3 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.18 37.05 2.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -114.32 139.84 49.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.35 160.5 14.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -106.1 98.7 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 -169.1 11.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.98 136.41 15.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -132.45 107.93 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.76 24.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.17 19.71 64.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.455 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -128.56 116.45 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -85.21 157.14 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.32 172.67 32.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.65 127.37 32.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.38 156.06 46.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 128.46 16.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.9 19.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -116.28 -25.93 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.93 -31.91 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.29 167.39 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.4 137.89 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -85.34 103.6 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -119.03 122.1 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 154.87 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.59 138.51 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 100.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -21.61 61.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.65 163.43 32.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.75 125.89 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -115.04 126.19 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.57 73.96 52.84 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.41 138.51 36.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 116.05 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -102.92 158.75 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -128.51 150.19 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 103.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.27 25.72 9.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.99 102.32 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.66 97.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.43 146.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.1 ttm -102.71 129.27 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 m -114.06 175.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -147.79 142.04 26.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.77 -179.41 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.94 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.17 178.46 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.58 -170.84 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.15 -33.52 73.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -74.58 -26.18 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.61 1.93 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -116.77 139.03 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.61 159.37 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.98 105.36 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.02 -171.98 17.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.34 138.99 21.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -132.25 119.99 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.83 -12.92 64.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.49 4.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -128.03 123.71 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -85.66 154.54 21.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.65 169.48 30.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -77.11 127.6 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.08 156.11 44.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.718 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 127.64 14.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.08 8.83 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -113.17 -25.79 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.02 -32.14 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.79 167.33 17.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -134.23 127.12 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -71.75 104.16 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.35 122.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 mmm -133.19 163.92 28.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -126.29 139.97 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 101.53 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.93 -22.52 62.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.18 163.41 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.73 118.99 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -113.4 103.6 11.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.21 75.56 2.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.9 mt -103.49 136.05 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.06 125.67 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.3 163.34 16.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -130.32 154.63 47.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.62 103.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.87 26.82 8.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.96 103.9 15.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.92 103.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.23 143.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -98.15 125.84 43.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.47 174.47 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.85 139.71 25.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.1 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -179.98 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.63 -171.93 3.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -76.34 -26.34 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.47 38.15 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -115.48 140.54 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.62 162.21 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -107.94 103.3 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.77 -172.59 14.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.18 140.13 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 tp -136.59 118.96 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.29 -14.04 62.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.85 16.42 4.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.22 122.51 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -86.3 154.42 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.25 173.0 34.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.15 130.25 35.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -116.98 156.06 48.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.84 15.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.24 8.88 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -114.2 -29.13 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.8 -31.21 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.23 167.66 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -138.6 133.75 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -76.63 103.78 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.16 122.84 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 mmm -135.28 162.06 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.74 140.11 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.94 102.82 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.77 -22.15 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -138.81 163.53 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.67 110.9 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -105.81 133.97 49.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.69 77.52 39.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.16 135.03 37.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.03 121.07 24.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.38 162.04 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -130.23 150.03 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.46 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.37 27.02 8.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -97.51 108.96 21.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.9 t -76.84 98.67 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -103.64 145.86 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.47 124.21 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -104.1 166.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.83 124.01 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.92 -173.2 14.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.83 170.51 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.26 178.12 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -76.8 -23.81 52.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.26 32.61 5.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -115.15 139.99 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -92.45 154.41 18.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -99.82 99.04 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.43 -169.63 11.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.69 137.82 21.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -133.29 119.48 19.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.82 -13.27 63.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.58 16.18 4.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.52 126.2 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.4 155.52 19.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.02 -175.88 41.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -89.97 127.12 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 m -113.28 155.63 44.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 126.6 13.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.384 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.22 7.59 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -112.09 -28.24 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.83 -38.71 27.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.97 167.56 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -137.17 138.23 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -82.31 103.23 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.86 131.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.6 mmm -140.49 163.47 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -126.18 137.32 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.19 101.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -17.68 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.87 165.21 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.59 115.49 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -105.02 128.58 53.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.66 76.11 55.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.34 139.7 33.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.55 103.91 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.1 mt -94.33 178.25 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -145.66 158.02 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.72 102.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.83 22.51 9.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.76 108.79 20.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.8 100.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.86 146.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ttm -106.03 119.52 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -102.77 169.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -132.36 -77.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.64 170.84 52.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.6 6.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.11 163.88 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.36 -169.99 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -58.49 -30.98 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -75.61 -22.42 56.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.29 39.96 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -121.44 129.87 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -84.99 173.63 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.962 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -116.6 94.82 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.91 -163.64 10.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.8 135.81 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -138.77 122.01 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.03 27.78 48.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.75 29.95 60.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.419 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.44 119.27 9.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.86 156.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.76 -175.49 41.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -86.16 131.13 34.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.69 155.44 47.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.58 6.33 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -114.82 -23.86 8.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.2 mt -86.38 -41.83 14.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.8 mt -53.86 167.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -141.89 142.13 33.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -83.96 103.07 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mt -124.64 119.39 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.88 162.78 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.7 mt -122.01 138.9 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.61 100.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.96 62.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.53 163.41 32.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.04 125.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -113.92 120.99 42.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -124.06 73.51 56.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.58 134.58 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.17 111.25 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.39 166.91 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -133.86 153.35 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.71 102.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.91 31.56 5.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -102.69 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.34 99.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.86 146.87 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.6 ttm -105.44 124.95 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -104.97 176.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -147.99 115.64 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.14 -176.6 53.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.11 179.5 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.24 -25.72 59.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.47 37.28 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -116.75 139.23 50.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.35 165.14 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -108.96 98.54 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.68 -172.97 12.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.02 136.43 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.31 112.48 11.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.69 21.31 37.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 19.46 61.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -129.65 120.8 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -87.23 159.1 18.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.97 168.65 23.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.87 129.4 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.65 156.08 45.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.24 14.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.69 19.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -117.52 -29.57 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.06 -34.52 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.4 mt -63.53 167.87 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -140.94 137.15 32.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -77.59 103.7 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mt -115.44 124.37 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.2 mmm -134.74 159.79 40.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -120.76 138.34 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.2 100.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.94 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -141.11 163.73 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 125.27 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -114.33 120.89 41.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -123.5 73.81 51.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.308 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.81 136.93 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.5 111.52 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.34 164.91 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 157.17 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 104.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.31 29.77 7.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -100.28 102.13 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.88 102.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.82 147.47 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.0 ttm -103.21 126.23 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.36 167.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -139.29 146.8 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.66 179.4 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.49 176.8 5.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -88.66 177.34 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -58.48 -33.14 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -75.62 -26.04 57.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.41 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -121.02 140.35 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.94 163.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -107.61 100.72 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.35 -172.63 13.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -148.83 138.29 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.04 106.27 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.25 25.31 16.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.66 66.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.93 116.39 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -83.52 160.86 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.16 167.45 20.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.26 130.06 39.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.26 156.21 47.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.07 14.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.15 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -116.27 -28.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.97 -35.79 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.27 166.88 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -79.09 103.26 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 mt -119.27 124.2 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 mmm -135.16 159.5 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.22 140.52 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 102.07 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.51 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -139.73 163.17 33.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.05 105.1 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -95.23 115.78 27.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -117.4 73.9 7.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.311 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.9 mt -100.76 138.74 37.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 114.61 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -103.34 158.33 16.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -125.98 154.54 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.44 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.15 25.91 8.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -96.43 104.51 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -72.77 103.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.7 144.89 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.3 ttm -99.91 123.48 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.34 170.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -140.86 136.34 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.29 -177.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 177.02 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.96 -172.59 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -72.1 -26.01 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.37 35.69 3.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -113.74 139.18 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -95.45 160.46 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -107.07 101.25 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -166.68 10.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -152.33 135.93 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -135.37 113.68 11.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 51.84 8.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.59 21.97 51.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -128.39 118.3 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -96.98 160.99 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.9 175.82 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.39 130.18 35.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.26 156.15 47.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 111.158 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.89 11.49 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -116.35 -25.57 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.72 -28.05 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.51 166.9 17.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -137.58 137.21 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -79.56 103.51 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -107.4 119.06 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.873 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -84.26 131.84 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.29 -129.66 2.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.34 45.18 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.363 . . . . 0.0 110.844 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -77.87 105.33 8.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.85 153.47 6.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -112.42 169.25 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -125.31 119.05 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.9 mmm -132.43 160.14 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -120.39 140.68 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.53 101.72 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.79 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -139.42 163.36 32.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.81 103.15 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -92.45 117.17 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.45 73.98 8.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.49 33.12 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.05 -28.01 24.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -87.93 93.96 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.34 45.0 4.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -55.68 171.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 172.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.11 -72.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.15 -157.73 9.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 59.18 39.03 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.6 -131.81 2.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -154.33 142.63 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.55 174.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -84.09 174.62 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.09 138.95 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.11 116.73 21.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 mt -104.57 155.82 18.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -123.75 151.03 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.61 26.06 8.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -97.59 102.22 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.18 99.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -103.79 145.48 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.1 ttm -100.93 124.69 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.7 m -106.73 173.51 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -146.89 137.53 23.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.72 179.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -177.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -101.12 -176.27 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.36 -38.29 73.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -70.1 -25.51 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.82 35.76 4.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -112.47 137.74 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -93.59 164.38 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.52 98.31 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.76 -174.84 13.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.45 135.6 19.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -132.39 107.05 8.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.39 29.17 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.17 76.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -128.03 115.13 18.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -86.27 157.46 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.78 175.6 34.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.4 mt -82.01 127.54 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 156.16 44.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.86 11.63 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -117.57 -29.02 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.98 -29.88 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 mt -68.13 166.24 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -135.81 133.78 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -76.03 103.89 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtm -55.91 163.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -119.23 173.62 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 tt -90.95 112.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -82.49 163.82 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.02 140.44 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.3 m80 . . . . . 0 C--N 1.33 -0.283 0 CA-C-O 120.713 0.292 . . . . 0.0 110.907 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -84.37 132.67 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -111.2 -27.78 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.0 120.65 3.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.29 46.15 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -121.77 118.19 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.92 150.2 26.66 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -95.18 165.82 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.1 mt -122.49 121.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mmm -133.42 163.34 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.5 mt -125.04 140.89 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 101.78 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.02 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.38 162.96 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.64 105.43 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -95.18 119.33 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -119.65 74.02 17.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.21 37.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.77 24.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.24 -26.9 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.84 46.71 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -87.68 -29.94 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 mtt -54.84 128.68 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -20.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.76 167.73 39.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -53.71 -55.29 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.41 37.7 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -37.73 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.24 150.85 48.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.0 179.27 7.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.33 119.56 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -109.97 158.73 17.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -126.3 155.1 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.91 25.93 8.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.85 102.16 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.72 101.94 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.96 144.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.9 ttm -98.55 125.24 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -107.32 174.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -147.75 137.93 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.68 -179.08 1.02 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 178.4 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.64 179.84 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.77 -33.56 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -75.33 -25.83 58.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.21 36.43 3.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -114.38 142.48 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -98.59 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -104.05 96.67 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.32 -175.0 13.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.46 135.61 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -133.36 113.7 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.34 25.75 30.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.52 20.56 68.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -129.04 116.83 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -83.69 156.54 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.52 174.45 32.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.05 142.61 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.83 155.93 79.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 125.36 12.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.16 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -114.24 -27.1 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.11 -27.2 30.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.67 166.84 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -136.06 133.0 36.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -75.91 103.9 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.3 mtm -55.45 134.01 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -83.98 162.63 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 138.6 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -89.98 171.55 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.04 -155.57 49.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.851 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -138.69 139.45 38.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -115.38 136.67 52.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.97 128.2 1.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -122.33 158.2 30.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -112.25 120.52 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.75 168.73 43.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -96.39 159.6 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -116.33 120.39 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.7 mmm -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -124.37 140.71 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.52 102.92 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 -22.31 64.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.37 162.13 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.67 105.93 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -96.14 111.9 23.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -115.6 73.57 4.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -17.28 37.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.84 -28.82 40.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.73 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.24 61.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.39 173.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.4 tpt -54.21 -49.54 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.85 75.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.16 -165.59 12.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -87.05 132.62 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 156.28 31.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp 57.93 31.8 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.86 149.77 18.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -62.76 169.13 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -99.6 137.77 37.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.56 113.15 20.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -101.23 157.32 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -124.14 151.06 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.38 103.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.26 25.49 9.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -96.54 102.17 13.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.1 95.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.91 144.42 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttm -100.2 126.25 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.65 172.53 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -145.9 142.5 28.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.19 -178.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -92.76 179.42 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.36 -35.62 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.51 -25.82 61.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.68 38.31 2.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -115.16 141.09 48.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -97.36 161.78 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.79 98.66 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.15 -174.22 13.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -150.46 135.76 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tp -129.84 111.59 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.43 25.1 34.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.63 19.57 65.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -126.06 111.88 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -82.64 158.76 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.72 169.54 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.54 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.67 156.23 46.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.91 19.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -116.92 -27.64 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -83.13 -29.62 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.84 166.43 17.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.02 134.79 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -76.65 103.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.7 mtm -56.02 147.62 19.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -85.59 116.11 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.0 tp -99.89 150.32 22.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -114.93 153.81 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.1 -152.3 6.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -95.09 145.76 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -52.99 -55.68 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.28 -72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -100.04 164.98 11.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -138.83 132.7 30.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.86 169.04 15.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -100.09 159.24 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.26 122.27 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -135.01 159.3 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.1 mt -120.18 140.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.79 101.71 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.36 59.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.73 163.63 32.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.58 104.62 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.99 117.91 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -118.96 73.78 12.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.705 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -9.32 25.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.17 -27.9 24.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.99 99.65 3.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.12 21.67 56.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -53.83 -28.39 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 mmt -52.04 -68.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.55 -101.74 0.14 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.5 -36.79 0.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -88.11 176.52 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.39 -67.91 1.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -67.9 132.05 46.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.21 -173.31 27.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -78.38 173.08 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -98.61 130.2 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.34 121.47 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -111.31 158.56 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -126.28 154.49 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.59 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.22 26.42 7.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -97.41 103.88 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.68 101.97 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.55 146.57 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 ttm -102.19 123.64 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -112.62 165.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.01 147.33 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.25 176.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -171.03 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.28 171.58 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -170.71 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -69.42 -30.01 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -77.97 -27.42 49.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.08 44.29 1.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -121.78 141.03 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -99.46 163.62 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -106.79 99.82 9.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.93 -175.48 14.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.84 135.66 22.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -133.07 111.71 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.4 23.77 35.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.18 19.7 64.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -127.31 115.24 18.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -85.71 157.32 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.03 179.55 37.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.88 130.8 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.31 156.25 47.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 126.46 13.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 8.86 25.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -116.37 -25.73 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.48 -28.28 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.54 166.5 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.17 136.22 39.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -77.24 103.67 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.2 mtm -53.58 -35.74 61.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -107.43 156.28 19.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.62 110.98 22.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -78.27 155.53 30.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.33 -149.97 36.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 133.42 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.63 148.92 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.68 -55.7 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -58.98 -30.43 67.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -122.06 160.63 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.04 168.49 6.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 149.38 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.3 mt -115.43 123.1 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmm -134.04 158.29 43.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.09 140.47 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.09 101.95 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -21.25 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.93 162.68 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.86 105.97 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -96.02 117.98 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.81 73.73 12.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.16 -28.02 25.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.69 100.33 9.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 21.3 52.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -56.53 -25.72 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp -52.05 -30.07 24.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.39 80.25 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.11 -168.82 27.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.508 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -76.05 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.71 -62.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -98.58 153.56 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 171.4 47.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -79.4 171.88 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -97.41 131.43 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.4 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.4 mt -104.34 159.73 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -127.7 155.28 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 101.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.64 25.3 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.83 102.89 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.88 101.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.62 146.24 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.22 126.02 49.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -113.82 164.36 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.8 148.69 47.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.5 177.89 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.63 171.13 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 177.64 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.73 -33.9 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.01 -26.48 59.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.06 41.41 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -118.88 140.67 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.46 163.85 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -108.09 100.42 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.74 -172.4 13.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -149.09 136.34 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -131.9 106.1 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.95 31.16 10.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.85 20.18 78.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -127.26 113.32 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -84.59 160.62 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.53 176.31 30.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.0 mt -82.47 131.69 35.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.82 156.13 50.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.98 13.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.52 10.78 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.19 -29.71 24.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.12 165.07 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -135.14 136.43 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.56 103.56 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.44 162.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -94.46 153.11 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.0 mt -98.26 131.75 44.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -92.46 151.74 20.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.93 -171.78 44.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m 60.0 35.75 21.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -83.5 126.78 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.82 -131.34 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -96.57 157.19 16.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -137.89 115.53 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.33 163.77 38.81 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -99.59 158.9 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.715 0.293 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 mt -115.61 121.15 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 mmm -133.11 159.36 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -121.13 140.94 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 101.59 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.32 -21.42 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -139.49 163.61 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.41 103.73 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.38 112.47 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -115.36 73.83 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.15 32.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.282 . . . . 0.0 112.294 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.16 144.78 5.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.37 -29.8 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.69 92.54 1.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -108.33 -27.84 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.2 ttm -52.51 -29.99 27.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.43 122.15 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.86 146.26 2.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -78.48 106.98 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.0 -24.29 27.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 170.28 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 136.28 2.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -109.13 174.3 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.2 mt -97.69 131.83 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.9 118.67 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -108.88 158.5 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -125.96 154.28 43.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 102.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.75 25.93 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -96.64 102.65 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.46 99.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.36 144.47 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.6 ttm -99.25 127.8 45.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 m -111.17 171.58 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -144.61 142.16 29.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.1 -177.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.706 2.27 . . . . 0.0 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.32 179.9 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.58 178.83 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -59.23 -34.2 71.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.96 -25.64 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.02 39.2 2.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -117.14 139.9 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.9 161.51 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -106.73 99.83 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.61 -172.81 13.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.44 140.0 23.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.91 118.57 18.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.33 -13.89 62.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.78 4.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -127.8 117.4 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -80.51 158.96 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.61 177.5 36.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.31 127.29 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.64 156.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 128.07 15.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.78 11.32 20.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -116.81 -26.56 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.07 -27.62 28.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.44 166.22 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -135.39 135.14 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -78.1 103.66 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm -55.38 133.06 49.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -82.39 149.05 27.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp 57.65 41.38 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -66.8 168.95 8.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.34 179.92 31.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -164.97 153.51 12.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -109.89 116.71 32.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.82 31.35 2.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -73.92 158.92 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m 57.88 46.79 16.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.45 154.8 2.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -91.46 170.58 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.5 mt -124.14 121.68 62.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.7 mmm -133.57 162.73 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.0 mt -123.73 140.76 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.45 101.83 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.64 -21.68 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.07 163.69 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.57 103.84 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -93.46 114.65 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -115.61 73.84 4.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.48 37.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 140.89 3.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.79 -29.63 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 173.82 19.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -58.39 -27.12 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttt 59.21 35.85 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.03 169.61 28.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.1 143.95 15.85 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -102.02 106.59 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.06 21.76 54.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -122.53 175.69 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.3 113.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -83.1 165.71 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.85 134.79 45.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 112.19 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.1 mt -99.69 157.39 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -125.72 154.49 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.1 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.65 26.82 7.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -97.62 103.69 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -71.47 102.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.08 144.67 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.5 ttm -100.78 122.55 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.44 162.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -131.0 130.19 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.86 -174.12 4.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -178.19 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.98 -179.51 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -59.53 -35.81 74.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.6 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.94 39.5 2.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -117.46 139.05 51.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -95.77 163.09 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.28 99.49 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.69 -169.53 11.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -147.76 139.43 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -138.51 105.13 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 20.83 24.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.84 19.22 59.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -129.7 122.34 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -89.99 154.97 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.39 174.96 35.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.11 129.42 34.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.32 156.25 47.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 127.68 14.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.68 21.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -116.75 -26.45 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.83 -27.38 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.12 167.11 18.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -136.68 136.2 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -78.88 103.6 8.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm -54.07 -42.22 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -89.75 -49.59 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 57.32 46.02 19.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -87.54 138.3 31.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.2 179.73 42.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 64.4 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -98.94 142.05 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.14 33.19 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.39 150.79 19.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -77.06 146.17 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -61.17 -42.28 98.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.78 -179.33 16.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -98.09 160.9 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -117.6 120.16 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 mmm -133.05 159.32 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.08 140.92 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.72 101.69 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -21.5 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.45 163.22 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.29 102.3 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.58 112.13 23.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.74 73.74 2.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.54 37.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.63 2.22 . . . . 0.0 112.387 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 143.51 10.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.52 141.04 16.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.86 173.86 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttm -105.14 146.5 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.27 85.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.49 -149.12 16.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.506 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -140.78 135.26 31.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.77 -147.83 17.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -112.5 153.37 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.59 -140.04 4.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -63.19 163.53 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.61 132.76 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 120.02 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -107.58 155.79 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -124.41 150.87 45.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.65 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.62 25.92 8.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -97.18 102.2 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.39 99.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.76 144.63 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.0 ttm -99.96 127.78 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -110.59 172.86 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -146.07 141.09 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.16 -178.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.82 178.18 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.75 -171.46 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -67.2 -34.05 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.41 -25.96 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 39.9 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -116.83 140.29 49.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -96.81 160.79 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -106.0 100.36 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.02 -172.88 13.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.13 140.23 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -135.61 119.87 17.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.95 -13.34 63.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.83 16.44 4.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -127.77 125.45 39.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -88.48 156.37 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.41 -179.32 40.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.0 mt -87.02 127.46 35.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.7 156.16 45.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.75 15.07 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.48 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -116.89 -26.81 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.3 mt -83.19 -27.79 29.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.32 166.26 20.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.38 135.22 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -77.44 103.68 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.8 mtm -55.22 152.66 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -86.71 164.14 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.72 177.54 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -105.68 -29.07 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.02 -112.95 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -97.23 117.4 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -69.75 134.67 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.16 156.55 27.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -116.32 117.56 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -73.02 -27.84 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.46 179.19 24.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -94.16 164.19 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.5 mt -120.65 122.83 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.4 mmm -133.89 163.4 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -126.36 140.79 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 104.39 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.23 -18.14 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.56 162.37 35.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.22 94.17 6.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -83.93 117.97 23.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -125.0 73.74 65.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.559 0.695 . . . . 0.0 110.809 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.03 37.89 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.246 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.08 -27.85 39.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.58 -31.75 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.06 31.93 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -52.3 -30.93 30.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.9 mmm -53.53 -34.3 57.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.57 103.57 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.43 95.72 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -69.58 163.69 24.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.7 -70.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -145.1 135.9 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.52 -172.82 25.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -103.1 175.76 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 mt -103.47 131.0 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 108.97 17.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.16 162.89 13.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.84 156.66 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.21 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.98 26.96 7.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.48 103.53 15.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.47 99.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.3 144.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.4 ttm -99.91 124.49 45.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.44 173.59 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -144.28 138.51 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.63 -177.32 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.88 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.92 179.75 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.21 -171.66 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.59 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.67 39.7 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -117.24 138.41 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -95.31 160.53 14.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -106.2 101.11 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.11 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -149.52 135.78 19.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 tp -133.2 114.4 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 52.9 16.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.09 22.23 54.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -125.94 111.3 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -93.05 160.87 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 172.68 22.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 mt -76.78 130.91 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.3 156.2 45.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 127.08 14.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.28 9.02 24.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -115.45 -25.68 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.4 mt -84.98 -28.32 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.51 165.36 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.42 136.09 43.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -78.58 103.6 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm -54.91 156.87 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.5 t -92.37 142.44 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.63 150.11 49.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -57.19 -41.9 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.17 100.15 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.86 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -142.78 152.34 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.8 132.91 2.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 57.84 44.38 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 m -96.96 -41.08 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 177.44 28.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -98.29 159.61 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 mt -115.17 123.57 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 mmm -135.21 159.99 39.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.3 mt -121.32 140.77 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 101.98 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.78 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.13 163.35 32.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.55 104.47 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.42 116.54 28.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -116.65 73.89 6.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -10.12 27.78 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.622 2.215 . . . . 0.0 112.396 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.18 -28.13 25.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -87.92 99.14 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.88 28.66 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -52.6 -36.82 57.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.91 109.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.89 96.44 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.86 -123.13 1.47 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -95.06 -61.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.74 -87.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -58.36 141.03 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.71 -179.65 48.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -87.47 170.22 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.1 128.97 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 118.77 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -107.12 158.05 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 151.82 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.41 103.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.35 27.55 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -97.77 107.48 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.1 102.22 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -109.34 143.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 ttm -99.92 120.35 39.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -100.85 163.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.11 137.22 47.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.3 -174.28 0.35 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.651 2.234 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.22 176.07 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.06 -171.61 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.07 -31.5 70.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.08 -25.86 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.87 40.0 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -118.4 136.94 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.84 100.06 9.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.23 -174.15 13.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.11 142.89 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 tp -144.67 105.12 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.15 20.92 29.01 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.01 23.59 51.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -134.64 119.19 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.62 155.07 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.95 -176.63 42.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -88.88 128.2 35.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.21 156.25 45.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 127.78 15.07 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.746 2.298 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.27 10.47 22.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -115.67 -25.92 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.4 mt -85.04 -26.58 26.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.65 167.35 18.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.94 138.21 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -81.51 103.37 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm -55.47 150.8 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -93.64 130.88 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -26.8 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.74 39.08 29.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.18 52.36 0.83 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.3 m80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.839 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -85.97 -52.38 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -114.42 164.05 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.56 -108.85 3.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -124.43 174.45 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -115.51 128.19 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.74 169.36 32.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.48 162.16 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -117.6 122.78 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.3 mmm -134.5 160.01 39.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -121.82 140.52 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.27 101.79 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.75 -20.66 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.75 163.08 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.57 103.36 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -93.11 115.75 28.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -117.33 73.78 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -14.66 36.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.87 -117.83 4.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -150.09 178.55 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.81 8.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.03 -40.68 90.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 167.39 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.04 -117.51 2.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.73 -142.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -83.59 159.18 21.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.51 132.11 7.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.545 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.1 113.49 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.9 164.18 22.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -93.36 167.41 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.72 131.85 50.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.89 113.21 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.85 161.3 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -129.25 156.93 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.9 101.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.33 6.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.65 104.96 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.44 103.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 145.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.2 ttm -100.92 119.93 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.17 166.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.33 137.16 43.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.63 -174.33 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.33 176.1 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.1 178.29 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.66 -34.52 69.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -74.12 -25.73 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.75 38.58 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.43 136.85 52.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -93.39 163.59 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -108.57 98.48 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.75 -176.19 14.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.02 142.28 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tp -141.92 108.08 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.07 20.4 33.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.19 24.28 48.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -137.92 119.85 15.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -84.74 162.49 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.9 27.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.87 127.88 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.92 156.3 45.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.67 14.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.56 10.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -116.48 -26.13 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.7 -26.24 27.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.59 166.57 21.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.07 136.74 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -79.42 103.55 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mtm -56.41 158.54 4.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p -132.53 148.88 52.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.74 -31.75 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -73.62 -28.58 61.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.33 -155.25 10.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 p80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -167.65 165.39 14.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -92.23 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.35 162.51 10.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -80.21 115.62 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -82.17 -31.52 30.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.4 -179.62 16.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -93.08 164.27 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mt -119.08 122.7 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmm -134.54 160.44 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -122.23 140.85 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.61 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.38 -21.41 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.34 163.73 31.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -84.06 103.87 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.3 114.76 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -116.45 73.66 5.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -13.5 34.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.16 -28.28 25.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -53.2 -28.97 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.36 109.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -47.1 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -53.53 129.01 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.95 -38.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.87 -132.78 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -87.88 -68.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.14 22.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 175.33 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.77 160.1 27.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -79.89 165.83 22.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.83 123.8 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.2 157.65 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -126.0 152.99 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.8 103.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.46 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -97.03 105.33 17.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 102.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.18 144.56 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.4 ttm -99.61 120.66 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -136.08 136.87 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.93 -174.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.603 2.202 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.13 175.81 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -170.85 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.4 -33.29 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -74.95 -25.37 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.09 38.16 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -116.9 137.12 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -93.76 164.46 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -109.84 100.87 9.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.41 -173.15 14.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 143.52 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 tp -141.62 118.51 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.08 -13.39 63.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.5 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -128.92 127.94 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -91.34 153.9 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 168.97 -175.72 43.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.03 128.41 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.83 156.29 45.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.37 10.73 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -116.4 -25.83 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.95 -27.37 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.44 166.36 20.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -135.68 136.87 41.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.64 103.47 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mtm -55.06 -39.27 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t 55.75 30.74 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.43 141.3 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -113.33 159.43 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.51 -37.67 0.9 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -76.38 -52.41 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.366 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -71.02 150.19 45.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.72 141.96 15.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -75.52 -39.23 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -137.44 166.56 23.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.47 168.77 34.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -99.82 159.35 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.55 117.92 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 mmm -130.82 145.59 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -108.51 140.01 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.52 102.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.15 -21.62 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.25 161.71 37.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.91 109.01 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -100.07 114.43 27.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.22 73.62 7.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.28 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.74 128.07 2.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.86 -29.24 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.84 120.97 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -76.77 -37.25 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.97 133.27 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.94 -29.03 2.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 -107.16 2.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -141.69 107.29 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.37 -140.91 29.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -79.31 109.22 13.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.56 162.76 3.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -72.87 165.27 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.45 134.7 44.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.41 116.32 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.2 mt -103.19 159.1 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -127.51 150.63 49.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.28 104.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.32 25.24 9.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -96.74 103.87 15.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.41 98.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.33 143.8 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -102.08 129.23 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 m -111.18 175.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -147.69 136.96 22.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.59 -177.38 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 177.86 4.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -170.73 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.39 -33.87 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -73.36 -25.3 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.18 37.05 2.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -114.32 139.84 49.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.35 160.5 14.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -106.1 98.7 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 -169.1 11.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.98 136.41 15.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -132.45 107.93 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.76 24.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.17 19.71 64.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.455 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -128.56 116.45 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -85.21 157.14 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.32 172.67 32.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.65 127.37 32.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.38 156.06 46.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 128.46 16.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.9 19.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -116.28 -25.93 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.93 -31.91 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.29 167.39 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.4 137.89 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -85.34 103.6 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -69.67 -41.26 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 p -85.23 165.44 17.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pp -109.79 147.73 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -112.97 134.73 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 p80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.88 -179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -123.08 107.33 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -69.14 169.64 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.14 -110.94 3.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -116.55 132.43 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -108.41 159.29 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.55 170.22 16.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -114.19 154.46 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -119.03 122.1 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 154.87 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.59 138.51 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 100.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -21.61 61.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.65 163.43 32.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.75 125.89 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -115.04 126.19 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.57 73.96 52.84 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -12.98 34.1 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -27.94 24.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.83 103.88 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.88 21.87 60.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -53.8 -31.97 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.4 mtm -52.17 -43.93 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.15 99.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.45 -174.25 42.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -58.54 -66.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 -81.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.91 156.49 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.37 166.46 24.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.545 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -84.29 169.35 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.41 138.51 36.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 116.05 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -102.92 158.75 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -128.51 150.19 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 103.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.27 25.72 9.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.99 102.32 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.66 97.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.43 146.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.1 ttm -102.71 129.27 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 m -114.06 175.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -147.79 142.04 26.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.77 -179.41 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.94 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.17 178.46 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.58 -170.84 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.15 -33.52 73.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -74.58 -26.18 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.61 1.93 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -116.77 139.03 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.61 159.37 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.98 105.36 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.02 -171.98 17.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.34 138.99 21.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -132.25 119.99 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.83 -12.92 64.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.49 4.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -128.03 123.71 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -85.66 154.54 21.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.65 169.48 30.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -77.11 127.6 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.08 156.11 44.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.718 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 127.64 14.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.08 8.83 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -113.17 -25.79 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.02 -32.14 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.79 167.33 17.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -134.23 127.12 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -71.75 104.16 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm -59.22 164.19 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.0 m -148.4 115.91 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.21 -31.32 42.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -88.97 160.29 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.6 169.52 39.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -100.28 138.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.69 166.76 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.15 -73.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -87.03 167.4 14.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -135.86 123.66 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.33 -179.8 28.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -103.1 165.27 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.35 122.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 mmm -133.19 163.92 28.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -126.29 139.97 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 101.53 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.93 -22.52 62.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.18 163.41 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.73 118.99 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -113.4 103.6 11.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.21 75.56 2.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -15.39 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.98 123.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.52 -32.87 70.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.7 81.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -54.86 -27.09 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -52.28 66.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.26 117.93 11.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.74 -115.47 0.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -92.49 -50.0 5.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.56 -65.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.23 -26.36 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.82 178.1 2.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -90.82 173.53 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.9 mt -103.49 136.05 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.06 125.67 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.3 163.34 16.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -130.32 154.63 47.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.62 103.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.87 26.82 8.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.96 103.9 15.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.92 103.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.23 143.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -98.15 125.84 43.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.47 174.47 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.85 139.71 25.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.1 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -179.98 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.63 -171.93 3.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -76.34 -26.34 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.47 38.15 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -115.48 140.54 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.62 162.21 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -107.94 103.3 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.77 -172.59 14.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.18 140.13 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 tp -136.59 118.96 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.29 -14.04 62.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.85 16.42 4.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.22 122.51 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -86.3 154.42 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.25 173.0 34.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.15 130.25 35.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -116.98 156.06 48.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.84 15.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.24 8.88 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -114.2 -29.13 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.8 -31.21 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.23 167.66 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -138.6 133.75 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -76.63 103.78 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtm -55.35 136.09 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -87.61 170.08 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pp -86.64 -27.89 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.59 152.6 40.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.12 98.46 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t 61.04 42.65 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -103.6 -35.27 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.49 149.44 21.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 m -156.8 149.77 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -145.26 167.78 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.59 160.22 19.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -93.61 174.46 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.16 122.84 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 mmm -135.28 162.06 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.74 140.11 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.94 102.82 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.77 -22.15 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -138.81 163.53 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.67 110.9 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -105.81 133.97 49.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.69 77.52 39.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.54 37.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.31 135.1 3.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.33 -28.72 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.99 80.61 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -53.69 -28.88 36.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ptm -76.46 165.04 25.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 52.07 1.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.542 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.37 -143.3 4.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.55 -26.04 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.37 -47.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 164.87 28.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.84 -150.29 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -106.72 159.47 16.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.16 135.03 37.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.03 121.07 24.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.38 162.04 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -130.23 150.03 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.46 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.37 27.02 8.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -97.51 108.96 21.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.9 t -76.84 98.67 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -103.64 145.86 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.47 124.21 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -104.1 166.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.83 124.01 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.92 -173.2 14.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.83 170.51 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.26 178.12 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -76.8 -23.81 52.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.26 32.61 5.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -115.15 139.99 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -92.45 154.41 18.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -99.82 99.04 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.43 -169.63 11.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.69 137.82 21.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -133.29 119.48 19.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.82 -13.27 63.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.58 16.18 4.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.52 126.2 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.4 155.52 19.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.02 -175.88 41.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -89.97 127.12 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 m -113.28 155.63 44.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 126.6 13.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.384 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.22 7.59 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -112.09 -28.24 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.83 -38.71 27.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.97 167.56 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -137.17 138.23 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -82.31 103.23 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mtm -54.3 154.32 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 t -108.66 161.32 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tt -121.84 117.98 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -120.85 172.9 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.57 -172.33 32.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.924 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -79.55 169.88 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -100.9 -31.97 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 60.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -112.76 -29.32 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -75.75 -68.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.18 165.57 14.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -101.14 156.05 17.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.86 131.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.6 mmm -140.49 163.47 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -126.18 137.32 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.19 101.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -17.68 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.87 165.21 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.59 115.49 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -105.02 128.58 53.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.66 76.11 55.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -11.29 30.52 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.45 -27.55 33.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -26.19 40.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.88 41.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -53.28 -33.78 54.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.99 110.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.62 -61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.18 163.45 23.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -64.65 -30.84 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -176.28 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 140.64 58.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.57 167.13 33.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -54.26 157.16 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.34 139.7 33.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.55 103.91 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.1 mt -94.33 178.25 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -145.66 158.02 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.72 102.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.83 22.51 9.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.76 108.79 20.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.8 100.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.86 146.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ttm -106.03 119.52 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -102.77 169.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -132.36 -77.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.64 170.84 52.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.6 6.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.11 163.88 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.36 -169.99 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -58.49 -30.98 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -75.61 -22.42 56.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.29 39.96 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -121.44 129.87 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -84.99 173.63 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.962 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -116.6 94.82 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.91 -163.64 10.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.8 135.81 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -138.77 122.01 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.03 27.78 48.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.75 29.95 60.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.419 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.44 119.27 9.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.86 156.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.76 -175.49 41.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -86.16 131.13 34.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.69 155.44 47.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.58 6.33 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -114.82 -23.86 8.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.2 mt -86.38 -41.83 14.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.8 mt -53.86 167.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -141.89 142.13 33.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -83.96 103.07 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm -52.51 125.04 15.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 p -72.15 163.96 27.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.43 153.65 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -82.59 136.41 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.27 -175.68 17.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.86 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -107.19 -32.2 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -133.73 135.38 43.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.26 113.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -81.72 -50.31 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 m -55.76 129.01 37.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.28 0.47 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 163.56 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mt -124.64 119.39 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.88 162.78 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.7 mt -122.01 138.9 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.61 100.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.96 62.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.53 163.41 32.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.04 125.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -113.92 120.99 42.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -124.06 73.51 56.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.71 36.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.56 133.84 5.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.28 -179.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.84 -75.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 39.2 42.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -135.33 179.77 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.95 -115.02 1.59 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.51 -70.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -74.25 -65.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.89 115.26 7.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -64.67 -50.56 66.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.19 135.49 8.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -80.45 164.2 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.58 134.58 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.17 111.25 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.39 166.91 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -133.86 153.35 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.71 102.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.91 31.56 5.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -102.69 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.34 99.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.86 146.87 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.6 ttm -105.44 124.95 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -104.97 176.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -147.99 115.64 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.14 -176.6 53.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.11 179.5 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.24 -25.72 59.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.47 37.28 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -116.75 139.23 50.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.35 165.14 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -108.96 98.54 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.68 -172.97 12.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.02 136.43 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.31 112.48 11.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.69 21.31 37.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 19.46 61.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -129.65 120.8 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -87.23 159.1 18.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.97 168.65 23.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.87 129.4 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.65 156.08 45.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.24 14.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.69 19.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -117.52 -29.57 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.06 -34.52 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.4 mt -63.53 167.87 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -140.94 137.15 32.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -77.59 103.7 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm -53.97 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 p -61.07 141.87 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.46 174.14 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -85.92 175.21 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.58 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.2 m80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -70.36 124.05 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -110.85 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 132.1 4.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -79.33 178.65 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.61 155.57 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.84 170.05 54.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 149.25 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mt -115.44 124.37 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.2 mmm -134.74 159.79 40.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -120.76 138.34 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.2 100.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.94 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -141.11 163.73 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 125.27 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -114.33 120.89 41.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -123.5 73.81 51.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.41 37.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.7 123.41 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.48 173.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.14 -76.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 39.56 41.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 mtt -141.26 168.85 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.43 -52.99 3.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.92 165.18 47.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -97.12 -35.16 10.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.42 -35.81 1.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -76.76 146.47 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.38 81.23 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -80.25 165.64 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.81 136.93 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.5 111.52 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.34 164.91 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 157.17 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 104.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.31 29.77 7.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -100.28 102.13 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.88 102.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.82 147.47 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.0 ttm -103.21 126.23 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.36 167.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -139.29 146.8 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.66 179.4 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.49 176.8 5.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -88.66 177.34 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -58.48 -33.14 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -75.62 -26.04 57.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.41 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -121.02 140.35 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.94 163.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -107.61 100.72 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.35 -172.63 13.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -148.83 138.29 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.04 106.27 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.25 25.31 16.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.66 66.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.93 116.39 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -83.52 160.86 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.16 167.45 20.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.26 130.06 39.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.26 156.21 47.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.07 14.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.15 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -116.27 -28.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.97 -35.79 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.27 166.88 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -79.09 103.26 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mtm -55.15 166.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 t -93.93 107.98 19.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -123.39 145.38 48.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.36 -66.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.15 146.55 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -143.7 150.93 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -124.41 160.64 27.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.71 108.92 2.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -151.82 131.41 13.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -90.98 -70.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.37 173.52 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -119.56 163.71 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 mt -119.27 124.2 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 mmm -135.16 159.5 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.22 140.52 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 102.07 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.51 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -139.73 163.17 33.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.05 105.1 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -95.23 115.78 27.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -117.4 73.9 7.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.99 37.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.77 139.31 3.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.21 -27.66 55.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 82.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -102.79 129.1 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mtt -127.82 168.69 14.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.23 -55.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.21 -82.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -69.72 127.63 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.43 -17.54 59.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 pttt 39.71 39.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.82 158.97 53.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -88.27 162.33 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.9 mt -100.76 138.74 37.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 114.61 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -103.34 158.33 16.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -125.98 154.54 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.44 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.15 25.91 8.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -96.43 104.51 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -72.77 103.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.7 144.89 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.3 ttm -99.91 123.48 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.34 170.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -140.86 136.34 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.29 -177.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 177.02 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.96 -172.59 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -72.1 -26.01 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.37 35.69 3.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -113.74 139.18 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -95.45 160.46 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -107.07 101.25 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -166.68 10.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -152.33 135.93 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -135.37 113.68 11.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 51.84 8.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.59 21.97 51.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -128.39 118.3 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -96.98 160.99 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.9 175.82 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.39 130.18 35.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.26 156.15 47.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 111.158 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.89 11.49 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -116.35 -25.57 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.72 -28.05 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.51 166.9 17.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -137.58 137.21 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -79.56 103.51 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mtm -54.31 154.09 4.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 p -126.86 177.46 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.76 150.89 38.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -97.27 158.09 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.24 -37.98 2.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -125.31 119.05 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.416 ' HB2' HD13 ' A' ' 67' ' ' LEU . 6.9 mmm -132.43 160.14 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 38' ' ' VAL . 91.7 mt -120.39 140.68 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.53 101.72 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.79 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -139.42 163.36 32.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.81 103.15 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -92.45 117.17 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.45 73.98 8.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 59' ' ' ARG . 96.9 mt -100.09 138.95 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.11 116.73 21.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.5 mt -104.57 155.82 18.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -123.75 151.03 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.61 26.06 8.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -97.59 102.22 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG22 HG12 ' A' ' 11' ' ' ILE . 98.0 t -69.18 99.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -103.79 145.48 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.1 ttm -100.93 124.69 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.7 m -106.73 173.51 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -146.89 137.53 23.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.72 179.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -177.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -101.12 -176.27 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.36 -38.29 73.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -70.1 -25.51 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.82 35.76 4.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -112.47 137.74 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -93.59 164.38 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.52 98.31 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.76 -174.84 13.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.45 135.6 19.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -132.39 107.05 8.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.39 29.17 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.17 76.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -128.03 115.13 18.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' O ' HD21 ' A' ' 31' ' ' LEU . 32.9 mtm180 -86.27 157.46 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.78 175.6 34.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.4 mt -82.01 127.54 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 156.16 44.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.75 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.86 11.63 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -117.57 -29.02 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.9 mt -80.98 -29.88 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 10' ' ' MET . 56.8 mt -68.13 166.24 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -135.81 133.78 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -76.03 103.89 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.1 mt -122.49 121.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mmm -133.42 163.34 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 38' ' ' VAL . 92.5 mt -125.04 140.89 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 101.78 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.02 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.38 162.96 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.64 105.43 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -95.18 119.33 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -119.65 74.02 17.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 60' ' ' GLY . 94.4 mt -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.33 119.56 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -109.97 158.73 17.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -126.3 155.1 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.91 25.93 8.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 55' ' ' LEU . 2.8 m-20 -96.85 102.16 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.575 HG22 HG12 ' A' ' 11' ' ' ILE . 96.4 t -69.72 101.94 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.96 144.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.9 ttm -98.55 125.24 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -107.32 174.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -147.75 137.93 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.68 -179.08 1.02 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 178.4 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.64 179.84 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.77 -33.56 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -75.33 -25.83 58.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.21 36.43 3.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -114.38 142.48 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.1 m-85 -98.59 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -104.05 96.67 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.32 -175.0 13.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.46 135.61 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -133.36 113.7 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.34 25.75 30.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.52 20.56 68.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -129.04 116.83 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -83.69 156.54 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.418 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 162.52 174.45 32.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.05 142.61 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -129.83 155.93 79.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 125.36 12.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.16 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -114.24 -27.1 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -83.11 -27.2 30.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.67 166.84 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -136.06 133.0 36.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -75.91 103.9 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.3 mtm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -116.33 120.39 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.7 mmm -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 38' ' ' VAL . 89.8 mt -124.37 140.71 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.52 102.92 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 -22.31 64.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.37 162.13 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.3 m-20 -80.67 105.93 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -96.14 111.9 23.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -115.6 73.57 4.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' O ' ' A' ' 59' ' ' ARG . 97.3 mt -99.6 137.77 37.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.56 113.15 20.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 22.8 mt -101.23 157.32 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -124.14 151.06 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.38 103.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.26 25.49 9.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -96.54 102.17 13.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 11' ' ' ILE . 98.6 t -69.1 95.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.91 144.42 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttm -100.2 126.25 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.65 172.53 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -145.9 142.5 28.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.19 -178.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -92.76 179.42 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.36 -35.62 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.51 -25.82 61.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.68 38.31 2.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -115.16 141.09 48.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -97.36 161.78 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.79 98.66 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.15 -174.22 13.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -150.46 135.76 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tp -129.84 111.59 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.43 25.1 34.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.63 19.57 65.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -126.06 111.88 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.51 ' O ' HD21 ' A' ' 31' ' ' LEU . 33.0 mtm180 -82.64 158.76 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.72 169.54 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.54 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.67 156.23 46.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.827 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.76 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.91 19.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -116.92 -27.64 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.827 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.0 mt -83.13 -29.62 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 33' ' ' LEU . 57.1 mt -68.84 166.43 17.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.02 134.79 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -76.65 103.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.7 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tttp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.26 122.27 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -135.01 159.3 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 38' ' ' VAL . 92.1 mt -120.18 140.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.79 101.71 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.36 59.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.73 163.63 32.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.58 104.62 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.99 117.91 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -118.96 73.78 12.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.705 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -98.61 130.2 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.34 121.47 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -111.31 158.56 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -126.28 154.49 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.59 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.22 26.42 7.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -97.41 103.88 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 11' ' ' ILE . 95.7 t -71.68 101.97 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.55 146.57 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 ttm -102.19 123.64 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -112.62 165.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.01 147.33 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.25 176.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -171.03 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.28 171.58 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -170.71 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -69.42 -30.01 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -77.97 -27.42 49.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.08 44.29 1.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -121.78 141.03 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -99.46 163.62 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -106.79 99.82 9.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.93 -175.48 14.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.84 135.66 22.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -133.07 111.71 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.4 23.77 35.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.18 19.7 64.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -127.31 115.24 18.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -85.71 157.32 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.03 179.55 37.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.88 130.8 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.31 156.25 47.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.85 126.46 13.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 8.86 25.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -116.37 -25.73 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -84.48 -28.28 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.54 166.5 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.17 136.22 39.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -77.24 103.67 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.3 mt -115.43 123.1 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.431 ' HB2' HD13 ' A' ' 67' ' ' LEU . 8.4 mmm -134.04 158.29 43.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 38' ' ' VAL . 90.4 mt -119.09 140.47 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.09 101.95 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -21.25 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.93 162.68 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.86 105.97 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -96.02 117.98 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.81 73.73 12.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 59' ' ' ARG . 76.4 mt -97.41 131.43 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.4 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.4 mt -104.34 159.73 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.0 mmt85 -127.7 155.28 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 101.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.64 25.3 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HD21 ' A' ' 55' ' ' LEU . 7.5 m-20 -95.83 102.89 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -70.88 101.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.62 146.24 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.22 126.02 49.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -113.82 164.36 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.8 148.69 47.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.5 177.89 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.63 171.13 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 177.64 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.73 -33.9 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.01 -26.48 59.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.06 41.41 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -118.88 140.67 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.46 163.85 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -108.09 100.42 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.74 -172.4 13.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -149.09 136.34 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -131.9 106.1 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.95 31.16 10.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.85 20.18 78.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -127.26 113.32 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' O ' HD21 ' A' ' 31' ' ' LEU . 35.9 mtt180 -84.59 160.62 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.53 176.31 30.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.0 mt -82.47 131.69 35.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.82 156.13 50.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.77 126.98 13.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.52 10.78 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 85.5 mt -85.19 -29.71 24.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.2 mt -68.12 165.07 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -135.14 136.43 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.56 103.56 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.7 mtm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 mt -115.61 121.15 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 mmm -133.11 159.36 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 91.8 mt -121.13 140.94 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 101.59 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.32 -21.42 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -139.49 163.61 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.41 103.73 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.38 112.47 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -115.36 73.83 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.282 . . . . 0.0 112.294 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.2 mt -97.69 131.83 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.9 118.67 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -108.88 158.5 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -125.96 154.28 43.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 102.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.75 25.93 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -96.64 102.65 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.7 t -70.46 99.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.36 144.47 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.6 ttm -99.25 127.8 45.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 m -111.17 171.58 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -144.61 142.16 29.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.1 -177.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.706 2.27 . . . . 0.0 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.32 179.9 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.58 178.83 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -59.23 -34.2 71.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.96 -25.64 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.02 39.2 2.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -117.14 139.9 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.9 161.51 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -106.73 99.83 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.61 -172.81 13.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.44 140.0 23.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.91 118.57 18.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.33 -13.89 62.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.78 4.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -127.8 117.4 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -80.51 158.96 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.61 177.5 36.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.31 127.29 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.64 156.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.824 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 128.07 15.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.78 11.32 20.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -116.81 -26.56 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.824 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.5 mt -84.07 -27.62 28.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.44 166.22 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -135.39 135.14 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -78.1 103.66 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.5 mt -124.14 121.68 62.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.7 mmm -133.57 162.73 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 38' ' ' VAL . 91.0 mt -123.73 140.76 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.45 101.83 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.64 -21.68 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.07 163.69 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.57 103.84 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -93.46 114.65 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -115.61 73.84 4.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.36 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.88 0.372 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.85 134.79 45.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 112.19 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 37.1 mt -99.69 157.39 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.7 tpp85 -125.72 154.49 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.1 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.65 26.82 7.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' OD2' HD21 ' A' ' 55' ' ' LEU . 25.2 m-20 -97.62 103.69 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -71.47 102.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.2 p -109.08 144.67 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.5 ttm -100.78 122.55 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.44 162.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -131.0 130.19 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.86 -174.12 4.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -178.19 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.98 -179.51 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -59.53 -35.81 74.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.6 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.94 39.5 2.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -117.46 139.05 51.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.9 m-85 -95.77 163.09 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.28 99.49 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.69 -169.53 11.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.6 pm0 -147.76 139.43 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.0 tp -138.51 105.13 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 20.83 24.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.84 19.22 59.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -129.7 122.34 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -89.99 154.97 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.39 174.96 35.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.11 129.42 34.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.32 156.25 47.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.802 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.82 127.68 14.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.68 21.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -116.75 -26.45 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.802 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.5 mt -83.83 -27.38 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.12 167.11 18.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -136.68 136.2 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -78.88 103.6 8.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -117.6 120.16 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.412 ' HB2' HD13 ' A' ' 67' ' ' LEU . 7.9 mmm -133.05 159.32 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 38' ' ' VAL . 92.9 mt -120.08 140.92 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.72 101.69 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -21.5 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.45 163.22 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.29 102.3 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.58 112.13 23.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.74 73.74 2.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.63 2.22 . . . . 0.0 112.387 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.61 132.76 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 120.02 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.1 mt -107.58 155.79 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -124.41 150.87 45.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.65 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.62 25.92 8.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -97.18 102.2 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 11' ' ' ILE . 97.3 t -69.39 99.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.76 144.63 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.0 ttm -99.96 127.78 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -110.59 172.86 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -146.07 141.09 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.16 -178.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.82 178.18 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.75 -171.46 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -67.2 -34.05 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.41 -25.96 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 39.9 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -116.83 140.29 49.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -96.81 160.79 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -106.0 100.36 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.02 -172.88 13.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.13 140.23 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -135.61 119.87 17.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.95 -13.34 63.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.83 16.44 4.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -127.77 125.45 39.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -88.48 156.37 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.41 -179.32 40.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.0 mt -87.02 127.46 35.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.7 156.16 45.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.72 127.75 15.07 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.48 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -116.89 -26.81 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -83.19 -27.79 29.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.6 mt -70.32 166.26 20.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.38 135.22 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -77.44 103.68 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.8 mtm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.5 mt -120.65 122.83 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.4 mmm -133.89 163.4 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 38' ' ' VAL . 89.3 mt -126.36 140.79 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.14 104.39 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.23 -18.14 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.56 162.37 35.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.4 m-20 -81.22 94.17 6.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -83.93 117.97 23.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -125.0 73.74 65.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.559 0.695 . . . . 0.0 110.809 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.246 . . . . 0.0 112.349 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.84 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD21 ' O ' ' A' ' 59' ' ' ARG . 54.1 mt -103.47 131.0 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 108.97 17.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 67' ' ' LEU . 15.0 mt -97.16 162.89 13.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -128.84 156.66 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -55.21 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.98 26.96 7.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.601 ' OD2' HD21 ' A' ' 55' ' ' LEU . 1.7 m-20 -97.48 103.53 15.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 99.3 t -71.47 99.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.3 144.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.4 ttm -99.91 124.49 45.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.44 173.59 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -144.28 138.51 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.63 -177.32 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.88 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.92 179.75 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.21 -171.66 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.59 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.67 39.7 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -117.24 138.41 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.41 ' HB2' HG23 ' A' ' 62' ' ' VAL . 11.5 m-85 -95.31 160.53 14.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -106.2 101.11 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.11 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -149.52 135.78 19.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' OD2' ' A' ' 37' ' ' ASP . 6.7 tp -133.2 114.4 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 52.9 16.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.09 22.23 54.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -125.94 111.3 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.528 ' O ' HD21 ' A' ' 31' ' ' LEU . 31.4 mtt-85 -93.05 160.87 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 172.68 22.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 mt -76.78 130.91 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.3 m -115.3 156.2 45.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.819 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.7 127.08 14.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.28 9.02 24.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -115.45 -25.68 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.4 mt -84.98 -28.32 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 33' ' ' LEU . 53.8 mt -71.51 165.36 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.42 136.09 43.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -78.58 103.6 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.307 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 mt -115.17 123.57 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 mmm -135.21 159.99 39.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 38' ' ' VAL . 91.3 mt -121.32 140.77 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.07 101.98 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.78 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.13 163.35 32.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.55 104.47 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.42 116.54 28.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -116.65 73.89 6.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.622 2.215 . . . . 0.0 112.396 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.1 128.97 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 118.77 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 42.1 mt -107.12 158.05 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 151.82 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.41 103.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.35 27.55 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 55' ' ' LEU . 16.3 m-20 -97.77 107.48 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 11' ' ' ILE . 94.9 t -76.1 102.22 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.9 p -109.34 143.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 ttm -99.92 120.35 39.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -100.85 163.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.11 137.22 47.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.3 -174.28 0.35 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.651 2.234 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.22 176.07 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.06 -171.61 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.07 -31.5 70.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.08 -25.86 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.87 40.0 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -118.4 136.94 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.84 100.06 9.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.23 -174.15 13.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -142.11 142.89 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.9 tp -144.67 105.12 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.15 20.92 29.01 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.01 23.59 51.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -134.64 119.19 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.62 155.07 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.95 -176.63 42.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -88.88 128.2 35.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.21 156.25 45.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 127.78 15.07 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.746 2.298 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.27 10.47 22.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -115.67 -25.92 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 94.4 mt -85.04 -26.58 26.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.65 167.35 18.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.94 138.21 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -81.51 103.37 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -117.6 122.78 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.409 ' HB2' HD13 ' A' ' 67' ' ' LEU . 10.3 mmm -134.5 160.01 39.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 90.9 mt -121.82 140.52 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.27 101.79 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.75 -20.66 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.75 163.08 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.57 103.36 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -93.11 115.75 28.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -117.33 73.78 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 59' ' ' ARG . 88.1 mt -103.72 131.85 50.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.89 113.21 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.85 161.3 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.9 mmt180 -129.25 156.93 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.9 101.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.33 6.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.643 ' OD2' HD21 ' A' ' 55' ' ' LEU . 4.3 m-20 -98.65 104.96 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.3 t -73.44 103.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.1 p -109.94 145.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.2 ttm -100.92 119.93 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.17 166.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.33 137.16 43.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.63 -174.33 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.33 176.1 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.1 178.29 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.66 -34.52 69.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -74.12 -25.73 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.75 38.58 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.43 136.85 52.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -93.39 163.59 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -108.57 98.48 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.75 -176.19 14.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -141.02 142.28 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD21 ' OD2' ' A' ' 37' ' ' ASP . 9.4 tp -141.92 108.08 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.07 20.4 33.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.19 24.28 48.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -137.92 119.85 15.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' HD21 ' A' ' 31' ' ' LEU . 55.0 mtt180 -84.74 162.49 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.9 27.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.87 127.88 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.92 156.3 45.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.67 14.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.56 10.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -116.48 -26.13 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.812 HD12 ' HG3' ' A' ' 63' ' ' PRO . 90.9 mt -84.7 -26.24 27.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 10' ' ' MET . 52.5 mt -71.59 166.57 21.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.07 136.74 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -79.42 103.55 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.747 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mt -119.08 122.7 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmm -134.54 160.44 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.585 HG12 HG22 ' A' ' 38' ' ' VAL . 91.4 mt -122.23 140.85 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.61 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.38 -21.41 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.34 163.73 31.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -84.06 103.87 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.3 114.76 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -116.45 73.66 5.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.83 123.8 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.2 157.65 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -126.0 152.99 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.8 103.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.46 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.53 ' OD2' HD21 ' A' ' 55' ' ' LEU . 11.5 m-20 -97.03 105.33 17.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 11' ' ' ILE . 96.2 t -73.84 102.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.3 p -109.18 144.56 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.4 ttm -99.61 120.66 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -136.08 136.87 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.93 -174.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.603 2.202 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.13 175.81 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -170.85 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.4 -33.29 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -74.95 -25.37 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.09 38.16 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -116.9 137.12 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -93.76 164.46 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -109.84 100.87 9.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.41 -173.15 14.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.81 143.52 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.7 tp -141.62 118.51 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.08 -13.39 63.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.5 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -128.92 127.94 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -91.34 153.9 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 168.97 -175.72 43.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.03 128.41 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.83 156.29 45.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.808 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.37 10.73 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -116.4 -25.83 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.7 mt -84.95 -27.37 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.44 166.36 20.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -135.68 136.87 41.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.64 103.47 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG22 ' HE1' ' A' ' 70' ' ' MET . 49.4 mt -118.55 117.92 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.513 ' HB2' HD13 ' A' ' 67' ' ' LEU . 2.9 mmm -130.82 145.59 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 38' ' ' VAL . 70.9 mt -108.51 140.01 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -69.52 102.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' LEU . . . -61.15 -21.62 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.25 161.71 37.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.1 m-20 -79.91 109.01 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -100.07 114.43 27.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.22 73.62 7.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.45 134.7 44.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.41 116.32 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 19.2 mt -103.19 159.1 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -127.51 150.63 49.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.28 104.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.32 25.24 9.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -96.74 103.87 15.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG22 ' CG1' ' A' ' 11' ' ' ILE . 86.5 t -69.41 98.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.33 143.8 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -102.08 129.23 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 m -111.18 175.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -147.69 136.96 22.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.59 -177.38 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 177.86 4.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -170.73 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.39 -33.87 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -73.36 -25.3 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.18 37.05 2.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -114.32 139.84 49.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.35 160.5 14.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -106.1 98.7 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 -169.1 11.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.98 136.41 15.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -132.45 107.93 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.76 24.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.17 19.71 64.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.455 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -128.56 116.45 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -85.21 157.14 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.32 172.67 32.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.65 127.37 32.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.38 156.06 46.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.76 128.46 16.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.9 19.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -116.28 -25.93 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.5 mt -84.93 -31.91 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 10' ' ' MET . 54.2 mt -65.29 167.39 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.4 137.89 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -85.34 103.6 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.775 ' HE1' HG22 ' A' ' 9' ' ' ILE . 4.1 mpp? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -119.03 122.1 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 154.87 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.539 HG12 HG22 ' A' ' 38' ' ' VAL . 79.5 mt -114.59 138.51 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HA ' HD23 ' A' ' 67' ' ' LEU . . . -70.49 100.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -21.61 61.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.0 mt -140.65 163.43 32.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.75 125.89 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.405 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.2 t80 -115.04 126.19 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.57 73.96 52.84 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.41 138.51 36.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 116.05 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 67' ' ' LEU . 30.3 mt -102.92 158.75 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -128.51 150.19 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 103.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.27 25.72 9.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.4 m-20 -95.99 102.32 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 11' ' ' ILE . 91.7 t -69.66 97.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.43 146.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.1 ttm -102.71 129.27 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 m -114.06 175.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -147.79 142.04 26.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.77 -179.41 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.94 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.17 178.46 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.58 -170.84 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.15 -33.52 73.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -74.58 -26.18 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.61 1.93 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -116.77 139.03 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.61 159.37 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.98 105.36 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.02 -171.98 17.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.34 138.99 21.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.1 tp -132.25 119.99 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.83 -12.92 64.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.49 4.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -128.03 123.71 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -85.66 154.54 21.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.65 169.48 30.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -77.11 127.6 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.08 156.11 44.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.718 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.85 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.76 127.64 14.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.08 8.83 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -113.17 -25.79 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -85.02 -32.14 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 33' ' ' LEU . 63.3 mt -69.79 167.33 17.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -134.23 127.12 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -71.75 104.16 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.35 122.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 mmm -133.19 163.92 28.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.563 HG12 HG22 ' A' ' 38' ' ' VAL . 85.1 mt -126.29 139.97 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 101.53 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.93 -22.52 62.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.18 163.41 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.73 118.99 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 66' ' ' LEU . 11.0 t80 -113.4 103.6 11.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.21 75.56 2.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.9 mt -103.49 136.05 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.06 125.67 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.3 163.34 16.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -130.32 154.63 47.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.62 103.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.87 26.82 8.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.96 103.9 15.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 11' ' ' ILE . 98.5 t -70.92 103.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.23 143.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -98.15 125.84 43.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.47 174.47 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.85 139.71 25.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.1 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -179.98 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.63 -171.93 3.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -76.34 -26.34 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.47 38.15 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -115.48 140.54 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.62 162.21 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -107.94 103.3 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.77 -172.59 14.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.18 140.13 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 tp -136.59 118.96 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.29 -14.04 62.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.85 16.42 4.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.22 122.51 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -86.3 154.42 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.25 173.0 34.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.15 130.25 35.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -116.98 156.06 48.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.838 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.77 127.84 15.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.24 8.88 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -114.2 -29.13 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.3 mt -79.8 -31.21 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.23 167.66 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -138.6 133.75 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -76.63 103.78 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.16 122.84 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 mmm -135.28 162.06 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 38' ' ' VAL . 86.4 mt -122.74 140.11 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -72.94 102.82 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.77 -22.15 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -138.81 163.53 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.67 110.9 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 66' ' ' LEU . 9.6 t80 -105.81 133.97 49.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.69 77.52 39.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 60' ' ' GLY . 89.2 mt -95.16 135.03 37.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.03 121.07 24.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 20.9 mt -107.38 162.04 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.6 tpt180 -130.23 150.03 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.46 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.37 27.02 8.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.671 ' OD2' HD21 ' A' ' 55' ' ' LEU . 20.7 m-20 -97.51 108.96 21.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 11' ' ' ILE . 88.9 t -76.84 98.67 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.5 p -103.64 145.86 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.47 124.21 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -104.1 166.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.83 124.01 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.92 -173.2 14.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.83 170.51 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.26 178.12 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -76.8 -23.81 52.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.26 32.61 5.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -115.15 139.99 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 62' ' ' VAL . 17.5 m-85 -92.45 154.41 18.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -99.82 99.04 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.43 -169.63 11.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.4 pm0 -148.69 137.82 21.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.671 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.9 tp -133.29 119.48 19.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.82 -13.27 63.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.58 16.18 4.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.52 126.2 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' O ' HD21 ' A' ' 31' ' ' LEU . 48.1 mtt180 -87.4 155.52 19.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 166.02 -175.88 41.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -89.97 127.12 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.7 m -113.28 155.63 44.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.859 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 126.6 13.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.384 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.22 7.59 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -112.09 -28.24 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.8 mt -80.83 -38.71 27.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD21 HD13 ' A' ' 33' ' ' LEU . 57.0 mt -59.97 167.56 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -137.17 138.23 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -82.31 103.23 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.86 131.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.6 mmm -140.49 163.47 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.601 HG12 HG22 ' A' ' 38' ' ' VAL . 72.7 mt -126.18 137.32 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.19 101.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -17.68 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.87 165.21 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.59 115.49 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -105.02 128.58 53.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.66 76.11 55.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.5 mt -98.34 139.7 33.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.55 103.91 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 55' ' ' LEU . 22.1 mt -94.33 178.25 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 mmm180 -145.66 158.02 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.72 102.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.83 22.51 9.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.5 m-20 -91.76 108.79 20.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 11' ' ' ILE . 88.7 t -77.8 100.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 HG11 ' A' ' 62' ' ' VAL . 7.2 p -103.86 146.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ttm -106.03 119.52 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -102.77 169.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -132.36 -77.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.64 170.84 52.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.6 6.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.11 163.88 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.36 -169.99 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -58.49 -30.98 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -75.61 -22.42 56.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.29 39.96 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -121.44 129.87 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.539 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.7 m-85 -84.99 173.63 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.962 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -116.6 94.82 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.91 -163.64 10.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.8 135.81 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 33' ' ' LEU . 4.4 tp -138.77 122.01 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.03 27.78 48.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.75 29.95 60.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.419 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.44 119.27 9.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' HD21 ' A' ' 31' ' ' LEU . 74.6 mtt180 -82.86 156.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.76 -175.49 41.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -86.16 131.13 34.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.539 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -115.69 155.44 47.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.58 6.33 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -114.82 -23.86 8.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 63' ' ' PRO . 71.2 mt -86.38 -41.83 14.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.8 mt -53.86 167.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -141.89 142.13 33.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -83.96 103.07 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mt -124.64 119.39 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.88 162.78 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 38' ' ' VAL . 79.7 mt -122.01 138.9 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.61 100.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.96 62.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.2 mt -140.53 163.41 32.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.04 125.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -113.92 120.99 42.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -124.06 73.51 56.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.58 134.58 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.17 111.25 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.39 166.91 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 20.5 tpp85 -133.86 153.35 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.71 102.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.91 31.56 5.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -102.69 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 11' ' ' ILE . 95.4 t -69.34 99.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.86 146.87 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.6 ttm -105.44 124.95 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -104.97 176.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -147.99 115.64 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.14 -176.6 53.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.11 179.5 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.24 -25.72 59.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.47 37.28 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -116.75 139.23 50.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.2 m-85 -95.35 165.14 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -108.96 98.54 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.68 -172.97 12.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.02 136.43 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.31 112.48 11.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.69 21.31 37.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 19.46 61.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -129.65 120.8 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -87.23 159.1 18.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.97 168.65 23.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.87 129.4 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.4 m -114.65 156.08 45.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.24 14.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.69 19.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -117.52 -29.57 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.4 mt -80.06 -34.52 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.4 mt -63.53 167.87 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -140.94 137.15 32.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -77.59 103.7 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mt -115.44 124.37 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.2 mmm -134.74 159.79 40.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 38' ' ' VAL . 80.7 mt -120.76 138.34 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.2 100.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.94 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.1 mt -141.11 163.73 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 125.27 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -114.33 120.89 41.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -123.5 73.81 51.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.308 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.81 136.93 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.5 111.52 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.34 164.91 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.1 157.17 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 104.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.31 29.77 7.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -100.28 102.13 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 11' ' ' ILE . 99.2 t -69.88 102.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.82 147.47 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.0 ttm -103.21 126.23 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.36 167.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -139.29 146.8 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.66 179.4 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.49 176.8 5.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -88.66 177.34 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -58.48 -33.14 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -75.62 -26.04 57.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.41 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -121.02 140.35 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 62' ' ' VAL . 13.6 m-85 -97.94 163.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -107.61 100.72 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.35 -172.63 13.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -148.83 138.29 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.04 106.27 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.25 25.31 16.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.66 66.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.93 116.39 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -83.52 160.86 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.16 167.45 20.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.26 130.06 39.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.26 156.21 47.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.81 127.07 14.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.15 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -116.27 -28.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.7 mt -81.97 -35.79 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.27 166.88 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -79.09 103.26 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 mt -119.27 124.2 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 mmm -135.16 159.5 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 38' ' ' VAL . 90.3 mt -122.22 140.52 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.21 102.07 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.51 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -139.73 163.17 33.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.05 105.1 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -95.23 115.78 27.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -117.4 73.9 7.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.311 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.9 mt -100.76 138.74 37.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 114.61 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 33.2 mt -103.34 158.33 16.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.2 tpp85 -125.98 154.54 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.44 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.15 25.91 8.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -96.43 104.51 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 11' ' ' ILE . 99.7 t -72.77 103.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.7 144.89 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.3 ttm -99.91 123.48 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.34 170.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -140.86 136.34 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.29 -177.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 177.02 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.96 -172.59 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -72.1 -26.01 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.37 35.69 3.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -113.74 139.18 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -95.45 160.46 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -107.07 101.25 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -166.68 10.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -152.33 135.93 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -135.37 113.68 11.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 51.84 8.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.59 21.97 51.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -128.39 118.3 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.588 ' O ' HD21 ' A' ' 31' ' ' LEU . 21.8 mtt-85 -96.98 160.99 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.486 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 157.9 175.82 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.39 130.18 35.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.26 156.15 47.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 111.158 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.89 11.49 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -116.35 -25.57 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 86.7 mt -85.72 -28.05 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.51 166.9 17.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -137.58 137.21 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -79.56 103.51 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -107.4 119.06 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.873 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -84.26 131.84 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.29 -129.66 2.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.34 45.18 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.363 . . . . 0.0 110.844 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -77.87 105.33 8.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.85 153.47 6.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -112.42 169.25 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -125.31 119.05 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.416 ' HB2' HD13 ' A' ' 67' ' ' LEU . 6.9 mmm -132.43 160.14 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 38' ' ' VAL . 91.7 mt -120.39 140.68 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.53 101.72 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.79 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -139.42 163.36 32.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.81 103.15 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -92.45 117.17 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.45 73.98 8.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.49 33.12 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.05 -28.01 24.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -87.93 93.96 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.34 45.0 4.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -55.68 171.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 172.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.11 -72.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.15 -157.73 9.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 59.18 39.03 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.6 -131.81 2.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -154.33 142.63 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.55 174.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -84.09 174.62 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 59' ' ' ARG . 96.9 mt -100.09 138.95 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.11 116.73 21.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.5 mt -104.57 155.82 18.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -123.75 151.03 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.61 26.06 8.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -97.59 102.22 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG22 HG12 ' A' ' 11' ' ' ILE . 98.0 t -69.18 99.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -103.79 145.48 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.1 ttm -100.93 124.69 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.7 m -106.73 173.51 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -146.89 137.53 23.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.72 179.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -177.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -101.12 -176.27 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.36 -38.29 73.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -70.1 -25.51 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.82 35.76 4.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -112.47 137.74 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -93.59 164.38 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.52 98.31 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.76 -174.84 13.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.45 135.6 19.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -132.39 107.05 8.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.39 29.17 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.17 76.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -128.03 115.13 18.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' O ' HD21 ' A' ' 31' ' ' LEU . 32.9 mtm180 -86.27 157.46 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.78 175.6 34.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.4 mt -82.01 127.54 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 156.16 44.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.75 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.86 11.63 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -117.57 -29.02 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.9 mt -80.98 -29.88 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 10' ' ' MET . 56.8 mt -68.13 166.24 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -135.81 133.78 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -76.03 103.89 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtm -55.91 163.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -119.23 173.62 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 73' ' ' HIS . 3.4 tt -90.95 112.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.432 ' O ' HD23 ' A' ' 72' ' ' LEU . 22.2 p80 -82.49 163.82 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.02 140.44 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.3 m80 . . . . . 0 C--N 1.33 -0.283 0 CA-C-O 120.713 0.292 . . . . 0.0 110.907 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -84.37 132.67 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -111.2 -27.78 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.0 120.65 3.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.29 46.15 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -121.77 118.19 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.92 150.2 26.66 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -95.18 165.82 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.1 mt -122.49 121.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mmm -133.42 163.34 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 38' ' ' VAL . 92.5 mt -125.04 140.89 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 101.78 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.02 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.38 162.96 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.64 105.43 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -95.18 119.33 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -119.65 74.02 17.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.21 37.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.77 24.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.24 -26.9 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.84 46.71 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -87.68 -29.94 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 mtt -54.84 128.68 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -20.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.76 167.73 39.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -53.71 -55.29 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.41 37.7 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -37.73 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.24 150.85 48.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.0 179.27 7.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 60' ' ' GLY . 94.4 mt -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.33 119.56 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -109.97 158.73 17.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -126.3 155.1 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.91 25.93 8.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 55' ' ' LEU . 2.8 m-20 -96.85 102.16 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.575 HG22 HG12 ' A' ' 11' ' ' ILE . 96.4 t -69.72 101.94 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.96 144.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.9 ttm -98.55 125.24 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -107.32 174.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -147.75 137.93 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.68 -179.08 1.02 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 178.4 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.64 179.84 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.77 -33.56 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -75.33 -25.83 58.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.21 36.43 3.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -114.38 142.48 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.1 m-85 -98.59 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -104.05 96.67 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.32 -175.0 13.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.46 135.61 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -133.36 113.7 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.34 25.75 30.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.52 20.56 68.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -129.04 116.83 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -83.69 156.54 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 162.52 174.45 32.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.05 142.61 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -129.83 155.93 79.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 125.36 12.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.16 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -114.24 -27.1 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -83.11 -27.2 30.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.67 166.84 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -136.06 133.0 36.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -75.91 103.9 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.3 mtm -55.45 134.01 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -83.98 162.63 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 138.6 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -89.98 171.55 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.04 -155.57 49.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.851 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -138.69 139.45 38.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -115.38 136.67 52.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.97 128.2 1.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -122.33 158.2 30.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -112.25 120.52 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.75 168.73 43.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -96.39 159.6 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -116.33 120.39 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.7 mmm -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 38' ' ' VAL . 89.8 mt -124.37 140.71 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.52 102.92 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 -22.31 64.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.37 162.13 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.3 m-20 -80.67 105.93 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -96.14 111.9 23.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -115.6 73.57 4.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -17.28 37.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.84 -28.82 40.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.73 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.24 61.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.39 173.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.4 tpt -54.21 -49.54 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.85 75.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.16 -165.59 12.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -87.05 132.62 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 156.28 31.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp 57.93 31.8 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.86 149.77 18.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -62.76 169.13 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' O ' ' A' ' 59' ' ' ARG . 97.3 mt -99.6 137.77 37.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.56 113.15 20.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 22.8 mt -101.23 157.32 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -124.14 151.06 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.38 103.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.26 25.49 9.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -96.54 102.17 13.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 11' ' ' ILE . 98.6 t -69.1 95.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.91 144.42 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttm -100.2 126.25 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.65 172.53 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -145.9 142.5 28.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.19 -178.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -92.76 179.42 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.36 -35.62 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.51 -25.82 61.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.68 38.31 2.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -115.16 141.09 48.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -97.36 161.78 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.79 98.66 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.15 -174.22 13.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -150.46 135.76 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tp -129.84 111.59 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.43 25.1 34.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.63 19.57 65.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -126.06 111.88 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.51 ' O ' HD21 ' A' ' 31' ' ' LEU . 33.0 mtm180 -82.64 158.76 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.72 169.54 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.54 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.67 156.23 46.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.827 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.76 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.91 19.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -116.92 -27.64 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.827 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.0 mt -83.13 -29.62 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 33' ' ' LEU . 57.1 mt -68.84 166.43 17.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.02 134.79 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -76.65 103.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.7 mtm -56.02 147.62 19.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -85.59 116.11 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.0 tp -99.89 150.32 22.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -114.93 153.81 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.1 -152.3 6.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -95.09 145.76 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -52.99 -55.68 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.28 -72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -100.04 164.98 11.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -138.83 132.7 30.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.86 169.04 15.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -100.09 159.24 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.26 122.27 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -135.01 159.3 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 38' ' ' VAL . 92.1 mt -120.18 140.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.79 101.71 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.36 59.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.73 163.63 32.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.58 104.62 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.99 117.91 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -118.96 73.78 12.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.705 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -9.32 25.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.17 -27.9 24.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.99 99.65 3.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.12 21.67 56.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -53.83 -28.39 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 mmt -52.04 -68.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.55 -101.74 0.14 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.5 -36.79 0.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -88.11 176.52 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.39 -67.91 1.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -67.9 132.05 46.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.21 -173.31 27.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -78.38 173.08 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -98.61 130.2 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.34 121.47 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -111.31 158.56 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -126.28 154.49 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.59 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.22 26.42 7.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -97.41 103.88 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 11' ' ' ILE . 95.7 t -71.68 101.97 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.55 146.57 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 ttm -102.19 123.64 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -112.62 165.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.01 147.33 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.25 176.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -171.03 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.28 171.58 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -170.71 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -69.42 -30.01 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -77.97 -27.42 49.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.08 44.29 1.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -121.78 141.03 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -99.46 163.62 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -106.79 99.82 9.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.93 -175.48 14.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.84 135.66 22.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -133.07 111.71 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.4 23.77 35.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.18 19.7 64.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -127.31 115.24 18.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -85.71 157.32 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.03 179.55 37.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.88 130.8 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.31 156.25 47.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.85 126.46 13.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 8.86 25.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -116.37 -25.73 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -84.48 -28.28 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.54 166.5 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.17 136.22 39.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -77.24 103.67 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.2 mtm -53.58 -35.74 61.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -107.43 156.28 19.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.62 110.98 22.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -78.27 155.53 30.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.33 -149.97 36.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 133.42 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.63 148.92 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.68 -55.7 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -58.98 -30.43 67.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -122.06 160.63 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.04 168.49 6.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 149.38 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.3 mt -115.43 123.1 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.431 ' HB2' HD13 ' A' ' 67' ' ' LEU . 8.4 mmm -134.04 158.29 43.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 38' ' ' VAL . 90.4 mt -119.09 140.47 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.09 101.95 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -21.25 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.93 162.68 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.86 105.97 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -96.02 117.98 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.81 73.73 12.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.16 -28.02 25.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.69 100.33 9.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 21.3 52.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -56.53 -25.72 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp -52.05 -30.07 24.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.39 80.25 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.11 -168.82 27.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.508 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -76.05 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.71 -62.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -98.58 153.56 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 171.4 47.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -79.4 171.88 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 59' ' ' ARG . 76.4 mt -97.41 131.43 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.4 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.4 mt -104.34 159.73 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.0 mmt85 -127.7 155.28 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 101.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.64 25.3 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HD21 ' A' ' 55' ' ' LEU . 7.5 m-20 -95.83 102.89 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -70.88 101.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.62 146.24 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.22 126.02 49.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -113.82 164.36 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.8 148.69 47.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.5 177.89 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.63 171.13 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 177.64 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.73 -33.9 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.01 -26.48 59.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.06 41.41 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -118.88 140.67 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.46 163.85 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -108.09 100.42 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.74 -172.4 13.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -149.09 136.34 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -131.9 106.1 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.95 31.16 10.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.85 20.18 78.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -127.26 113.32 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' O ' HD21 ' A' ' 31' ' ' LEU . 35.9 mtt180 -84.59 160.62 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.53 176.31 30.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.0 mt -82.47 131.69 35.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.82 156.13 50.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.77 126.98 13.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.52 10.78 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 85.5 mt -85.19 -29.71 24.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.2 mt -68.12 165.07 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -135.14 136.43 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.56 103.56 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.44 162.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -94.46 153.11 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.0 mt -98.26 131.75 44.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -92.46 151.74 20.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.93 -171.78 44.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m 60.0 35.75 21.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -83.5 126.78 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.82 -131.34 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -96.57 157.19 16.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -137.89 115.53 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.33 163.77 38.81 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -99.59 158.9 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.715 0.293 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 mt -115.61 121.15 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 mmm -133.11 159.36 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 91.8 mt -121.13 140.94 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 101.59 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.32 -21.42 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -139.49 163.61 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.41 103.73 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.38 112.47 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -115.36 73.83 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.15 32.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.282 . . . . 0.0 112.294 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.16 144.78 5.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.37 -29.8 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.69 92.54 1.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -108.33 -27.84 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.2 ttm -52.51 -29.99 27.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.43 122.15 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.86 146.26 2.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -78.48 106.98 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.0 -24.29 27.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 170.28 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 136.28 2.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -109.13 174.3 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.2 mt -97.69 131.83 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.9 118.67 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -108.88 158.5 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -125.96 154.28 43.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 102.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.75 25.93 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -96.64 102.65 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.7 t -70.46 99.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.36 144.47 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.6 ttm -99.25 127.8 45.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 m -111.17 171.58 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -144.61 142.16 29.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.1 -177.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.706 2.27 . . . . 0.0 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.32 179.9 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.58 178.83 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -59.23 -34.2 71.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.96 -25.64 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.02 39.2 2.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -117.14 139.9 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.9 161.51 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -106.73 99.83 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.61 -172.81 13.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.44 140.0 23.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.91 118.57 18.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.33 -13.89 62.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.78 4.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -127.8 117.4 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -80.51 158.96 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.61 177.5 36.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.31 127.29 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.64 156.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.824 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 128.07 15.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.78 11.32 20.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -116.81 -26.56 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.824 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.5 mt -84.07 -27.62 28.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.44 166.22 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -135.39 135.14 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -78.1 103.66 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm -55.38 133.06 49.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -82.39 149.05 27.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp 57.65 41.38 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -66.8 168.95 8.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.34 179.92 31.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -164.97 153.51 12.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -109.89 116.71 32.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.82 31.35 2.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -73.92 158.92 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m 57.88 46.79 16.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.45 154.8 2.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -91.46 170.58 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.5 mt -124.14 121.68 62.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.7 mmm -133.57 162.73 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 38' ' ' VAL . 91.0 mt -123.73 140.76 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.45 101.83 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.64 -21.68 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.07 163.69 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.57 103.84 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -93.46 114.65 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -115.61 73.84 4.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.48 37.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 140.89 3.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.79 -29.63 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 173.82 19.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -58.39 -27.12 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttt 59.21 35.85 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.03 169.61 28.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.1 143.95 15.85 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -102.02 106.59 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.06 21.76 54.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -122.53 175.69 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.3 113.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -83.1 165.71 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.85 134.79 45.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 112.19 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 37.1 mt -99.69 157.39 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.7 tpp85 -125.72 154.49 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.1 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.65 26.82 7.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' OD2' HD21 ' A' ' 55' ' ' LEU . 25.2 m-20 -97.62 103.69 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -71.47 102.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.2 p -109.08 144.67 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.5 ttm -100.78 122.55 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.44 162.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -131.0 130.19 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.86 -174.12 4.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -178.19 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.98 -179.51 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -59.53 -35.81 74.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.6 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.94 39.5 2.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -117.46 139.05 51.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.9 m-85 -95.77 163.09 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.28 99.49 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.69 -169.53 11.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.6 pm0 -147.76 139.43 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.0 tp -138.51 105.13 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 20.83 24.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.84 19.22 59.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -129.7 122.34 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -89.99 154.97 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.39 174.96 35.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.11 129.42 34.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.32 156.25 47.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.802 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.82 127.68 14.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.68 21.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -116.75 -26.45 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.802 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.5 mt -83.83 -27.38 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.12 167.11 18.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -136.68 136.2 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -78.88 103.6 8.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm -54.07 -42.22 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -89.75 -49.59 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER 57.32 46.02 19.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -87.54 138.3 31.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.2 179.73 42.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 64.4 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -98.94 142.05 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.14 33.19 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.39 150.79 19.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -77.06 146.17 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -61.17 -42.28 98.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.78 -179.33 16.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -98.09 160.9 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -117.6 120.16 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.412 ' HB2' HD13 ' A' ' 67' ' ' LEU . 7.9 mmm -133.05 159.32 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 38' ' ' VAL . 92.9 mt -120.08 140.92 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.72 101.69 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -21.5 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.45 163.22 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.29 102.3 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.58 112.13 23.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.74 73.74 2.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.54 37.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.63 2.22 . . . . 0.0 112.387 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 143.51 10.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.52 141.04 16.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.86 173.86 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttm -105.14 146.5 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.27 85.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.49 -149.12 16.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.506 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -140.78 135.26 31.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.77 -147.83 17.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -112.5 153.37 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.59 -140.04 4.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -63.19 163.53 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.61 132.76 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 120.02 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.1 mt -107.58 155.79 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -124.41 150.87 45.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.65 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.62 25.92 8.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -97.18 102.2 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 11' ' ' ILE . 97.3 t -69.39 99.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.76 144.63 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.0 ttm -99.96 127.78 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -110.59 172.86 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -146.07 141.09 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.16 -178.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.82 178.18 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.75 -171.46 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -67.2 -34.05 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.41 -25.96 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 39.9 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -116.83 140.29 49.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -96.81 160.79 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -106.0 100.36 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.02 -172.88 13.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.13 140.23 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -135.61 119.87 17.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.95 -13.34 63.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.83 16.44 4.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -127.77 125.45 39.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -88.48 156.37 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.41 -179.32 40.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.0 mt -87.02 127.46 35.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.7 156.16 45.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.72 127.75 15.07 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.48 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -116.89 -26.81 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -83.19 -27.79 29.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.6 mt -70.32 166.26 20.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.38 135.22 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -77.44 103.68 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.8 mtm -55.22 152.66 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -86.71 164.14 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.72 177.54 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -105.68 -29.07 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.02 -112.95 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -97.23 117.4 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -69.75 134.67 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.16 156.55 27.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -116.32 117.56 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -73.02 -27.84 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.46 179.19 24.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -94.16 164.19 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.5 mt -120.65 122.83 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.4 mmm -133.89 163.4 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 38' ' ' VAL . 89.3 mt -126.36 140.79 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.14 104.39 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.23 -18.14 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.56 162.37 35.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.4 m-20 -81.22 94.17 6.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -83.93 117.97 23.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -125.0 73.74 65.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.559 0.695 . . . . 0.0 110.809 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.03 37.89 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.246 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.08 -27.85 39.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.58 -31.75 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.06 31.93 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -52.3 -30.93 30.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.9 mmm -53.53 -34.3 57.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.57 103.57 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.43 95.72 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -69.58 163.69 24.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.7 -70.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -145.1 135.9 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.52 -172.82 25.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -103.1 175.76 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD21 ' O ' ' A' ' 59' ' ' ARG . 54.1 mt -103.47 131.0 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 108.97 17.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 67' ' ' LEU . 15.0 mt -97.16 162.89 13.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -128.84 156.66 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -55.21 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.98 26.96 7.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.601 ' OD2' HD21 ' A' ' 55' ' ' LEU . 1.7 m-20 -97.48 103.53 15.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 99.3 t -71.47 99.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.3 144.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.4 ttm -99.91 124.49 45.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.44 173.59 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -144.28 138.51 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.63 -177.32 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.88 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.92 179.75 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.21 -171.66 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.59 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.67 39.7 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -117.24 138.41 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.41 ' HB2' HG23 ' A' ' 62' ' ' VAL . 11.5 m-85 -95.31 160.53 14.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -106.2 101.11 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.11 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -149.52 135.78 19.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' OD2' ' A' ' 37' ' ' ASP . 6.7 tp -133.2 114.4 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 52.9 16.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.09 22.23 54.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -125.94 111.3 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.528 ' O ' HD21 ' A' ' 31' ' ' LEU . 31.4 mtt-85 -93.05 160.87 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 172.68 22.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 mt -76.78 130.91 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.3 m -115.3 156.2 45.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.819 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.7 127.08 14.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.28 9.02 24.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -115.45 -25.68 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.4 mt -84.98 -28.32 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 33' ' ' LEU . 53.8 mt -71.51 165.36 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.42 136.09 43.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -78.58 103.6 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm -54.91 156.87 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.5 t -92.37 142.44 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.63 150.11 49.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -57.19 -41.9 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.17 100.15 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.86 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -142.78 152.34 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.8 132.91 2.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 57.84 44.38 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 m -96.96 -41.08 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 177.44 28.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -98.29 159.61 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 mt -115.17 123.57 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 mmm -135.21 159.99 39.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 38' ' ' VAL . 91.3 mt -121.32 140.77 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.07 101.98 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.78 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.13 163.35 32.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.55 104.47 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.42 116.54 28.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -116.65 73.89 6.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -10.12 27.78 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.622 2.215 . . . . 0.0 112.396 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.18 -28.13 25.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -87.92 99.14 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.88 28.66 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -52.6 -36.82 57.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.91 109.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.89 96.44 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.86 -123.13 1.47 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -95.06 -61.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.74 -87.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -58.36 141.03 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.71 -179.65 48.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -87.47 170.22 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.1 128.97 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 118.77 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 42.1 mt -107.12 158.05 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 151.82 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.41 103.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.35 27.55 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 55' ' ' LEU . 16.3 m-20 -97.77 107.48 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 11' ' ' ILE . 94.9 t -76.1 102.22 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.9 p -109.34 143.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 ttm -99.92 120.35 39.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -100.85 163.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.11 137.22 47.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.3 -174.28 0.35 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.651 2.234 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.22 176.07 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.06 -171.61 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.07 -31.5 70.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.08 -25.86 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.87 40.0 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -118.4 136.94 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.84 100.06 9.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.23 -174.15 13.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -142.11 142.89 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.9 tp -144.67 105.12 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.15 20.92 29.01 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.01 23.59 51.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -134.64 119.19 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.62 155.07 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.95 -176.63 42.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -88.88 128.2 35.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.21 156.25 45.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 127.78 15.07 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.746 2.298 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.27 10.47 22.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -115.67 -25.92 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 94.4 mt -85.04 -26.58 26.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.65 167.35 18.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.94 138.21 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -81.51 103.37 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm -55.47 150.8 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -93.64 130.88 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -26.8 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.74 39.08 29.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.18 52.36 0.83 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.3 m80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.839 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -85.97 -52.38 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -114.42 164.05 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.56 -108.85 3.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -124.43 174.45 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -115.51 128.19 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.74 169.36 32.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.48 162.16 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -117.6 122.78 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.409 ' HB2' HD13 ' A' ' 67' ' ' LEU . 10.3 mmm -134.5 160.01 39.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 90.9 mt -121.82 140.52 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.27 101.79 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.75 -20.66 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.75 163.08 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.57 103.36 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -93.11 115.75 28.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -117.33 73.78 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -14.66 36.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.87 -117.83 4.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -150.09 178.55 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.81 8.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.03 -40.68 90.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 167.39 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.04 -117.51 2.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.73 -142.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -83.59 159.18 21.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.51 132.11 7.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.545 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.1 113.49 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.9 164.18 22.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -93.36 167.41 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 59' ' ' ARG . 88.1 mt -103.72 131.85 50.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.89 113.21 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.85 161.3 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.9 mmt180 -129.25 156.93 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.9 101.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.33 6.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.643 ' OD2' HD21 ' A' ' 55' ' ' LEU . 4.3 m-20 -98.65 104.96 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.3 t -73.44 103.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.1 p -109.94 145.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.2 ttm -100.92 119.93 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.17 166.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.33 137.16 43.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.63 -174.33 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.33 176.1 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.1 178.29 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.66 -34.52 69.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -74.12 -25.73 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.75 38.58 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.43 136.85 52.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -93.39 163.59 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -108.57 98.48 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.75 -176.19 14.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -141.02 142.28 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD21 ' OD2' ' A' ' 37' ' ' ASP . 9.4 tp -141.92 108.08 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.07 20.4 33.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.19 24.28 48.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -137.92 119.85 15.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' HD21 ' A' ' 31' ' ' LEU . 55.0 mtt180 -84.74 162.49 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.9 27.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.87 127.88 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.92 156.3 45.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.67 14.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.56 10.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -116.48 -26.13 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.812 HD12 ' HG3' ' A' ' 63' ' ' PRO . 90.9 mt -84.7 -26.24 27.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 10' ' ' MET . 52.5 mt -71.59 166.57 21.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.07 136.74 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -79.42 103.55 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mtm -56.41 158.54 4.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p -132.53 148.88 52.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.74 -31.75 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -73.62 -28.58 61.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.33 -155.25 10.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 p80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -167.65 165.39 14.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -92.23 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.35 162.51 10.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -80.21 115.62 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -82.17 -31.52 30.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.4 -179.62 16.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -93.08 164.27 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mt -119.08 122.7 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmm -134.54 160.44 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.585 HG12 HG22 ' A' ' 38' ' ' VAL . 91.4 mt -122.23 140.85 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.61 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.38 -21.41 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.34 163.73 31.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -84.06 103.87 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.3 114.76 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -116.45 73.66 5.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -13.5 34.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.16 -28.28 25.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -53.2 -28.97 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.36 109.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -47.1 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -53.53 129.01 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.95 -38.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.87 -132.78 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -87.88 -68.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.14 22.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 175.33 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.77 160.1 27.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -79.89 165.83 22.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.83 123.8 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.2 157.65 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -126.0 152.99 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.8 103.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.46 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.53 ' OD2' HD21 ' A' ' 55' ' ' LEU . 11.5 m-20 -97.03 105.33 17.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 11' ' ' ILE . 96.2 t -73.84 102.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.3 p -109.18 144.56 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.4 ttm -99.61 120.66 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -136.08 136.87 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.93 -174.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.603 2.202 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.13 175.81 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -170.85 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.4 -33.29 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -74.95 -25.37 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.09 38.16 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -116.9 137.12 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -93.76 164.46 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -109.84 100.87 9.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.41 -173.15 14.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.81 143.52 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.7 tp -141.62 118.51 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.08 -13.39 63.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.5 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -128.92 127.94 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -91.34 153.9 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 168.97 -175.72 43.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.03 128.41 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.83 156.29 45.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.808 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.37 10.73 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -116.4 -25.83 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.7 mt -84.95 -27.37 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.44 166.36 20.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -135.68 136.87 41.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.64 103.47 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mtm -55.06 -39.27 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t 55.75 30.74 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.43 141.3 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -113.33 159.43 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.51 -37.67 0.9 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -76.38 -52.41 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.366 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -71.02 150.19 45.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.72 141.96 15.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -75.52 -39.23 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -137.44 166.56 23.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.47 168.77 34.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -99.82 159.35 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG22 ' HE1' ' A' ' 70' ' ' MET . 49.4 mt -118.55 117.92 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HB2' HD13 ' A' ' 67' ' ' LEU . 2.9 mmm -130.82 145.59 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 38' ' ' VAL . 70.9 mt -108.51 140.01 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -69.52 102.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' LEU . . . -61.15 -21.62 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.25 161.71 37.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.1 m-20 -79.91 109.01 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -100.07 114.43 27.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.22 73.62 7.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.28 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.74 128.07 2.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.86 -29.24 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.84 120.97 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -76.77 -37.25 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.97 133.27 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.94 -29.03 2.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 -107.16 2.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -141.69 107.29 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.37 -140.91 29.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -79.31 109.22 13.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.56 162.76 3.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -72.87 165.27 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.45 134.7 44.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.41 116.32 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 19.2 mt -103.19 159.1 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -127.51 150.63 49.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.28 104.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.32 25.24 9.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -96.74 103.87 15.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG22 ' CG1' ' A' ' 11' ' ' ILE . 86.5 t -69.41 98.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.33 143.8 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -102.08 129.23 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 m -111.18 175.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -147.69 136.96 22.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.59 -177.38 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 177.86 4.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -170.73 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.39 -33.87 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -73.36 -25.3 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.18 37.05 2.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -114.32 139.84 49.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.35 160.5 14.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -106.1 98.7 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 -169.1 11.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.98 136.41 15.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -132.45 107.93 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.76 24.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.17 19.71 64.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.455 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -128.56 116.45 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -85.21 157.14 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.32 172.67 32.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.65 127.37 32.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.38 156.06 46.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.76 128.46 16.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.9 19.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -116.28 -25.93 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.5 mt -84.93 -31.91 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 10' ' ' MET . 54.2 mt -65.29 167.39 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.4 137.89 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -85.34 103.6 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.775 ' HE1' HG22 ' A' ' 9' ' ' ILE . 4.1 mpp? -69.67 -41.26 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 p -85.23 165.44 17.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pp -109.79 147.73 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -112.97 134.73 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 p80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.88 -179.899 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -123.08 107.33 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -69.14 169.64 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.14 -110.94 3.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -116.55 132.43 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -108.41 159.29 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.55 170.22 16.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -114.19 154.46 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -119.03 122.1 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 154.87 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.539 HG12 HG22 ' A' ' 38' ' ' VAL . 79.5 mt -114.59 138.51 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HA ' HD23 ' A' ' 67' ' ' LEU . . . -70.49 100.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -21.61 61.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.0 mt -140.65 163.43 32.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.75 125.89 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.405 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.2 t80 -115.04 126.19 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.57 73.96 52.84 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -12.98 34.1 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -27.94 24.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.83 103.88 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.88 21.87 60.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -53.8 -31.97 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.4 mtm -52.17 -43.93 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.15 99.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.45 -174.25 42.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -58.54 -66.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 -81.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.91 156.49 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.37 166.46 24.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.545 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -84.29 169.35 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.41 138.51 36.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 116.05 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 67' ' ' LEU . 30.3 mt -102.92 158.75 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -128.51 150.19 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 103.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.27 25.72 9.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.4 m-20 -95.99 102.32 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 11' ' ' ILE . 91.7 t -69.66 97.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.43 146.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.1 ttm -102.71 129.27 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 m -114.06 175.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -147.79 142.04 26.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.77 -179.41 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.94 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.17 178.46 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.58 -170.84 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.15 -33.52 73.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -74.58 -26.18 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.61 1.93 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -116.77 139.03 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.61 159.37 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.98 105.36 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.02 -171.98 17.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.34 138.99 21.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.1 tp -132.25 119.99 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.83 -12.92 64.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.49 4.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -128.03 123.71 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -85.66 154.54 21.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.65 169.48 30.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -77.11 127.6 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.08 156.11 44.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.718 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.85 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.76 127.64 14.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.08 8.83 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -113.17 -25.79 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -85.02 -32.14 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 33' ' ' LEU . 63.3 mt -69.79 167.33 17.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -134.23 127.12 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -71.75 104.16 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm -59.22 164.19 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.0 m -148.4 115.91 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.21 -31.32 42.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -88.97 160.29 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.6 169.52 39.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -100.28 138.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.69 166.76 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.15 -73.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -87.03 167.4 14.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -135.86 123.66 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.33 -179.8 28.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -103.1 165.27 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.35 122.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 mmm -133.19 163.92 28.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.563 HG12 HG22 ' A' ' 38' ' ' VAL . 85.1 mt -126.29 139.97 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 101.53 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.93 -22.52 62.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.18 163.41 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.73 118.99 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 66' ' ' LEU . 11.0 t80 -113.4 103.6 11.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.21 75.56 2.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -15.39 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.98 123.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.52 -32.87 70.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.7 81.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -54.86 -27.09 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -52.28 66.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.26 117.93 11.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.74 -115.47 0.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -92.49 -50.0 5.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.56 -65.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.23 -26.36 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.82 178.1 2.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -90.82 173.53 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.9 mt -103.49 136.05 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.06 125.67 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.3 163.34 16.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -130.32 154.63 47.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.62 103.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.87 26.82 8.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.96 103.9 15.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 11' ' ' ILE . 98.5 t -70.92 103.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.23 143.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -98.15 125.84 43.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.47 174.47 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.85 139.71 25.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.1 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -179.98 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.63 -171.93 3.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -76.34 -26.34 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.47 38.15 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -115.48 140.54 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.62 162.21 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -107.94 103.3 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.77 -172.59 14.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.18 140.13 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 tp -136.59 118.96 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.29 -14.04 62.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.85 16.42 4.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.22 122.51 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -86.3 154.42 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.25 173.0 34.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.15 130.25 35.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -116.98 156.06 48.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.838 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.77 127.84 15.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.24 8.88 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -114.2 -29.13 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.3 mt -79.8 -31.21 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.23 167.66 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -138.6 133.75 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -76.63 103.78 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtm -55.35 136.09 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -87.61 170.08 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pp -86.64 -27.89 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.59 152.6 40.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.12 98.46 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t 61.04 42.65 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -103.6 -35.27 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.49 149.44 21.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 m -156.8 149.77 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -145.26 167.78 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.59 160.22 19.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -93.61 174.46 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.16 122.84 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 mmm -135.28 162.06 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 38' ' ' VAL . 86.4 mt -122.74 140.11 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -72.94 102.82 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.77 -22.15 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -138.81 163.53 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.67 110.9 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 66' ' ' LEU . 9.6 t80 -105.81 133.97 49.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.69 77.52 39.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.54 37.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.31 135.1 3.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.33 -28.72 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.99 80.61 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -53.69 -28.88 36.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ptm -76.46 165.04 25.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 52.07 1.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.542 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.37 -143.3 4.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.55 -26.04 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.37 -47.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 164.87 28.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.84 -150.29 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -106.72 159.47 16.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 60' ' ' GLY . 89.2 mt -95.16 135.03 37.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.03 121.07 24.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 20.9 mt -107.38 162.04 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.6 tpt180 -130.23 150.03 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.46 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.37 27.02 8.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.671 ' OD2' HD21 ' A' ' 55' ' ' LEU . 20.7 m-20 -97.51 108.96 21.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 11' ' ' ILE . 88.9 t -76.84 98.67 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.5 p -103.64 145.86 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.47 124.21 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -104.1 166.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.83 124.01 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.92 -173.2 14.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.83 170.51 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.26 178.12 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -76.8 -23.81 52.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.26 32.61 5.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -115.15 139.99 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 62' ' ' VAL . 17.5 m-85 -92.45 154.41 18.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -99.82 99.04 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.43 -169.63 11.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.4 pm0 -148.69 137.82 21.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.671 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.9 tp -133.29 119.48 19.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.82 -13.27 63.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.58 16.18 4.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.52 126.2 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' O ' HD21 ' A' ' 31' ' ' LEU . 48.1 mtt180 -87.4 155.52 19.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 166.02 -175.88 41.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -89.97 127.12 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.7 m -113.28 155.63 44.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.859 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 126.6 13.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.384 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.22 7.59 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -112.09 -28.24 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.8 mt -80.83 -38.71 27.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD21 HD13 ' A' ' 33' ' ' LEU . 57.0 mt -59.97 167.56 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -137.17 138.23 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -82.31 103.23 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mtm -54.3 154.32 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 t -108.66 161.32 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tt -121.84 117.98 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -120.85 172.9 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.57 -172.33 32.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.924 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -79.55 169.88 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -100.9 -31.97 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 60.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -112.76 -29.32 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -75.75 -68.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.18 165.57 14.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -101.14 156.05 17.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.86 131.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.6 mmm -140.49 163.47 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.601 HG12 HG22 ' A' ' 38' ' ' VAL . 72.7 mt -126.18 137.32 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.19 101.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -17.68 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.87 165.21 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.59 115.49 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -105.02 128.58 53.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.66 76.11 55.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -11.29 30.52 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.45 -27.55 33.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -26.19 40.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.88 41.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -53.28 -33.78 54.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.99 110.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.62 -61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.18 163.45 23.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -64.65 -30.84 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -176.28 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 140.64 58.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.57 167.13 33.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -54.26 157.16 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.5 mt -98.34 139.7 33.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.55 103.91 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 55' ' ' LEU . 22.1 mt -94.33 178.25 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 mmm180 -145.66 158.02 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.72 102.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.83 22.51 9.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.5 m-20 -91.76 108.79 20.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 11' ' ' ILE . 88.7 t -77.8 100.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 HG11 ' A' ' 62' ' ' VAL . 7.2 p -103.86 146.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ttm -106.03 119.52 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -102.77 169.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -132.36 -77.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.64 170.84 52.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.6 6.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.11 163.88 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.36 -169.99 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -58.49 -30.98 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -75.61 -22.42 56.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.29 39.96 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -121.44 129.87 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.539 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.7 m-85 -84.99 173.63 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.962 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -116.6 94.82 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.91 -163.64 10.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.8 135.81 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 33' ' ' LEU . 4.4 tp -138.77 122.01 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.03 27.78 48.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.75 29.95 60.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.419 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.44 119.27 9.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' HD21 ' A' ' 31' ' ' LEU . 74.6 mtt180 -82.86 156.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.76 -175.49 41.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -86.16 131.13 34.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.539 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -115.69 155.44 47.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.58 6.33 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -114.82 -23.86 8.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 63' ' ' PRO . 71.2 mt -86.38 -41.83 14.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.8 mt -53.86 167.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -141.89 142.13 33.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -83.96 103.07 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm -52.51 125.04 15.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 p -72.15 163.96 27.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.43 153.65 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -82.59 136.41 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.27 -175.68 17.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.86 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -107.19 -32.2 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -133.73 135.38 43.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.26 113.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -81.72 -50.31 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 m -55.76 129.01 37.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.28 0.47 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 163.56 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mt -124.64 119.39 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.88 162.78 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 38' ' ' VAL . 79.7 mt -122.01 138.9 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.61 100.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.96 62.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.2 mt -140.53 163.41 32.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.04 125.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -113.92 120.99 42.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -124.06 73.51 56.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.71 36.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.56 133.84 5.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.28 -179.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.84 -75.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 39.2 42.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -135.33 179.77 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.95 -115.02 1.59 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.51 -70.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -74.25 -65.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.89 115.26 7.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -64.67 -50.56 66.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.19 135.49 8.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -80.45 164.2 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.58 134.58 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.17 111.25 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.39 166.91 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 20.5 tpp85 -133.86 153.35 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.71 102.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.91 31.56 5.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -102.69 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 11' ' ' ILE . 95.4 t -69.34 99.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.86 146.87 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.6 ttm -105.44 124.95 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -104.97 176.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -147.99 115.64 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.14 -176.6 53.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.11 179.5 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.24 -25.72 59.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.47 37.28 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -116.75 139.23 50.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.2 m-85 -95.35 165.14 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -108.96 98.54 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.68 -172.97 12.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.02 136.43 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.31 112.48 11.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.69 21.31 37.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 19.46 61.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -129.65 120.8 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -87.23 159.1 18.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.97 168.65 23.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.87 129.4 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.4 m -114.65 156.08 45.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.24 14.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.69 19.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -117.52 -29.57 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.4 mt -80.06 -34.52 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.4 mt -63.53 167.87 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -140.94 137.15 32.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -77.59 103.7 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm -53.97 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 p -61.07 141.87 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.46 174.14 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -85.92 175.21 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.58 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.2 m80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -70.36 124.05 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -110.85 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 132.1 4.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -79.33 178.65 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.61 155.57 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.84 170.05 54.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 149.25 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mt -115.44 124.37 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.2 mmm -134.74 159.79 40.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 38' ' ' VAL . 80.7 mt -120.76 138.34 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.2 100.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.94 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.1 mt -141.11 163.73 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 125.27 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -114.33 120.89 41.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -123.5 73.81 51.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.41 37.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.7 123.41 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.48 173.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.14 -76.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 39.56 41.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 mtt -141.26 168.85 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.43 -52.99 3.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.92 165.18 47.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -97.12 -35.16 10.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.42 -35.81 1.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -76.76 146.47 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.38 81.23 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -80.25 165.64 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.81 136.93 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.5 111.52 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.34 164.91 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.1 157.17 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 104.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.31 29.77 7.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -100.28 102.13 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 11' ' ' ILE . 99.2 t -69.88 102.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.82 147.47 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.0 ttm -103.21 126.23 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.36 167.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -139.29 146.8 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.66 179.4 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.49 176.8 5.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -88.66 177.34 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -58.48 -33.14 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -75.62 -26.04 57.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.41 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -121.02 140.35 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 62' ' ' VAL . 13.6 m-85 -97.94 163.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -107.61 100.72 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.35 -172.63 13.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -148.83 138.29 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.04 106.27 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.25 25.31 16.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.66 66.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.93 116.39 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -83.52 160.86 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.16 167.45 20.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.26 130.06 39.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.26 156.21 47.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.81 127.07 14.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.15 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -116.27 -28.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.7 mt -81.97 -35.79 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.27 166.88 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -79.09 103.26 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mtm -55.15 166.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 t -93.93 107.98 19.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -123.39 145.38 48.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.36 -66.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.15 146.55 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -143.7 150.93 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -124.41 160.64 27.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.71 108.92 2.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -151.82 131.41 13.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -90.98 -70.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.37 173.52 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -119.56 163.71 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 mt -119.27 124.2 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 mmm -135.16 159.5 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 38' ' ' VAL . 90.3 mt -122.22 140.52 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.21 102.07 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.51 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -139.73 163.17 33.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.05 105.1 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -95.23 115.78 27.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -117.4 73.9 7.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.99 37.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.77 139.31 3.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.21 -27.66 55.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 82.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.565 ' HB2' HD23 ' A' ' 31' ' ' LEU . 8.6 pt20 -102.79 129.1 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mtt -127.82 168.69 14.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.23 -55.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.21 -82.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -69.72 127.63 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.43 -17.54 59.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 pttt 39.71 39.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.82 158.97 53.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -88.27 162.33 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.9 mt -100.76 138.74 37.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 114.61 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 33.2 mt -103.34 158.33 16.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.2 tpp85 -125.98 154.54 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.44 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.15 25.91 8.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -96.43 104.51 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 11' ' ' ILE . 99.7 t -72.77 103.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.7 144.89 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.3 ttm -99.91 123.48 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.34 170.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -140.86 136.34 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.29 -177.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 177.02 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.96 -172.59 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -72.1 -26.01 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.37 35.69 3.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -113.74 139.18 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -95.45 160.46 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -107.07 101.25 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -166.68 10.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -152.33 135.93 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -135.37 113.68 11.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 51.84 8.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.59 21.97 51.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -128.39 118.3 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.588 ' O ' HD21 ' A' ' 31' ' ' LEU . 21.8 mtt-85 -96.98 160.99 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.486 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 157.9 175.82 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.39 130.18 35.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.26 156.15 47.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 111.158 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.89 11.49 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -116.35 -25.57 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 86.7 mt -85.72 -28.05 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.51 166.9 17.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -137.58 137.21 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -79.56 103.51 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mtm -54.31 154.09 4.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 p -126.86 177.46 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.76 150.89 38.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -97.27 158.09 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.24 -37.98 2.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -125.31 119.05 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.416 ' HB2' HD13 ' A' ' 67' ' ' LEU . 6.9 mmm -132.43 160.14 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 38' ' ' VAL . 91.7 mt -120.39 140.68 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.53 101.72 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.79 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -139.42 163.36 32.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.81 103.15 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -92.45 117.17 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.45 73.98 8.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 59' ' ' ARG . 96.9 mt -100.09 138.95 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.11 116.73 21.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.5 mt -104.57 155.82 18.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -123.75 151.03 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.61 26.06 8.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -97.59 102.22 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG22 HG12 ' A' ' 11' ' ' ILE . 98.0 t -69.18 99.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -103.79 145.48 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.1 ttm -100.93 124.69 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.7 m -106.73 173.51 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -146.89 137.53 23.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.72 179.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -177.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -101.12 -176.27 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.36 -38.29 73.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -70.1 -25.51 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.82 35.76 4.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -112.47 137.74 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -93.59 164.38 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.52 98.31 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.76 -174.84 13.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.45 135.6 19.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -132.39 107.05 8.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.39 29.17 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.17 76.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -128.03 115.13 18.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' O ' HD21 ' A' ' 31' ' ' LEU . 32.9 mtm180 -86.27 157.46 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.78 175.6 34.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.4 mt -82.01 127.54 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 156.16 44.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.75 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.86 11.63 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -117.57 -29.02 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.9 mt -80.98 -29.88 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 10' ' ' MET . 56.8 mt -68.13 166.24 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -135.81 133.78 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -76.03 103.89 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.1 mt -122.49 121.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mmm -133.42 163.34 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 38' ' ' VAL . 92.5 mt -125.04 140.89 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 101.78 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.02 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.38 162.96 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.64 105.43 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -95.18 119.33 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -119.65 74.02 17.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 60' ' ' GLY . 94.4 mt -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.33 119.56 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -109.97 158.73 17.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -126.3 155.1 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.91 25.93 8.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 55' ' ' LEU . 2.8 m-20 -96.85 102.16 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.575 HG22 HG12 ' A' ' 11' ' ' ILE . 96.4 t -69.72 101.94 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.96 144.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.9 ttm -98.55 125.24 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -107.32 174.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -147.75 137.93 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.68 -179.08 1.02 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 178.4 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.64 179.84 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.77 -33.56 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -75.33 -25.83 58.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.21 36.43 3.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -114.38 142.48 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.1 m-85 -98.59 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -104.05 96.67 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.32 -175.0 13.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.46 135.61 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -133.36 113.7 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.34 25.75 30.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.52 20.56 68.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -129.04 116.83 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -83.69 156.54 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.418 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 162.52 174.45 32.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.05 142.61 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -129.83 155.93 79.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 125.36 12.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.16 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -114.24 -27.1 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -83.11 -27.2 30.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.67 166.84 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -136.06 133.0 36.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -75.91 103.9 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.3 mtm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -116.33 120.39 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.7 mmm -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 38' ' ' VAL . 89.8 mt -124.37 140.71 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.52 102.92 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 -22.31 64.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.37 162.13 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.3 m-20 -80.67 105.93 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -96.14 111.9 23.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -115.6 73.57 4.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' O ' ' A' ' 59' ' ' ARG . 97.3 mt -99.6 137.77 37.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.56 113.15 20.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 22.8 mt -101.23 157.32 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -124.14 151.06 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.38 103.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.26 25.49 9.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -96.54 102.17 13.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 11' ' ' ILE . 98.6 t -69.1 95.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.91 144.42 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttm -100.2 126.25 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.65 172.53 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -145.9 142.5 28.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.19 -178.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -92.76 179.42 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.36 -35.62 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.51 -25.82 61.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.68 38.31 2.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -115.16 141.09 48.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -97.36 161.78 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.79 98.66 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.15 -174.22 13.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -150.46 135.76 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tp -129.84 111.59 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.43 25.1 34.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.63 19.57 65.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -126.06 111.88 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.51 ' O ' HD21 ' A' ' 31' ' ' LEU . 33.0 mtm180 -82.64 158.76 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.72 169.54 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.54 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.67 156.23 46.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.827 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.76 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.91 19.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -116.92 -27.64 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.827 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.0 mt -83.13 -29.62 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 33' ' ' LEU . 57.1 mt -68.84 166.43 17.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.02 134.79 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -76.65 103.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.7 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tttp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.26 122.27 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -135.01 159.3 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 38' ' ' VAL . 92.1 mt -120.18 140.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.79 101.71 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.36 59.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.73 163.63 32.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.58 104.62 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.99 117.91 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -118.96 73.78 12.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.705 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -98.61 130.2 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.34 121.47 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -111.31 158.56 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -126.28 154.49 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.59 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.22 26.42 7.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -97.41 103.88 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 11' ' ' ILE . 95.7 t -71.68 101.97 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.55 146.57 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 ttm -102.19 123.64 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -112.62 165.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.01 147.33 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.25 176.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -171.03 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.28 171.58 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -170.71 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -69.42 -30.01 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -77.97 -27.42 49.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.08 44.29 1.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -121.78 141.03 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -99.46 163.62 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -106.79 99.82 9.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.93 -175.48 14.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.84 135.66 22.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -133.07 111.71 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.4 23.77 35.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.18 19.7 64.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -127.31 115.24 18.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -85.71 157.32 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.03 179.55 37.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.88 130.8 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.31 156.25 47.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.85 126.46 13.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 8.86 25.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -116.37 -25.73 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -84.48 -28.28 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.54 166.5 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.17 136.22 39.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -77.24 103.67 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.3 mt -115.43 123.1 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.431 ' HB2' HD13 ' A' ' 67' ' ' LEU . 8.4 mmm -134.04 158.29 43.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 38' ' ' VAL . 90.4 mt -119.09 140.47 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.09 101.95 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -21.25 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.93 162.68 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.86 105.97 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -96.02 117.98 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.81 73.73 12.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 59' ' ' ARG . 76.4 mt -97.41 131.43 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.4 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.4 mt -104.34 159.73 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.0 mmt85 -127.7 155.28 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 101.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.64 25.3 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HD21 ' A' ' 55' ' ' LEU . 7.5 m-20 -95.83 102.89 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -70.88 101.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.62 146.24 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.22 126.02 49.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -113.82 164.36 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.8 148.69 47.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.5 177.89 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.63 171.13 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 177.64 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.73 -33.9 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.01 -26.48 59.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.06 41.41 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -118.88 140.67 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.46 163.85 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -108.09 100.42 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.74 -172.4 13.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -149.09 136.34 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -131.9 106.1 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.95 31.16 10.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.85 20.18 78.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -127.26 113.32 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' O ' HD21 ' A' ' 31' ' ' LEU . 35.9 mtt180 -84.59 160.62 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.53 176.31 30.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.0 mt -82.47 131.69 35.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.82 156.13 50.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.77 126.98 13.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.52 10.78 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 85.5 mt -85.19 -29.71 24.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.2 mt -68.12 165.07 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -135.14 136.43 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.56 103.56 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.7 mtm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 mt -115.61 121.15 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 mmm -133.11 159.36 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 91.8 mt -121.13 140.94 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 101.59 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.32 -21.42 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -139.49 163.61 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.41 103.73 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.38 112.47 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -115.36 73.83 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.282 . . . . 0.0 112.294 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.2 mt -97.69 131.83 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.9 118.67 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -108.88 158.5 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -125.96 154.28 43.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 102.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.75 25.93 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -96.64 102.65 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.7 t -70.46 99.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.36 144.47 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.6 ttm -99.25 127.8 45.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 m -111.17 171.58 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -144.61 142.16 29.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.1 -177.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.706 2.27 . . . . 0.0 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.32 179.9 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.58 178.83 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -59.23 -34.2 71.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.96 -25.64 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.02 39.2 2.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -117.14 139.9 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.9 161.51 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -106.73 99.83 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.61 -172.81 13.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.44 140.0 23.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.91 118.57 18.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.33 -13.89 62.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.78 4.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -127.8 117.4 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -80.51 158.96 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.61 177.5 36.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.31 127.29 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.64 156.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.824 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 128.07 15.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.78 11.32 20.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -116.81 -26.56 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.824 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.5 mt -84.07 -27.62 28.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.44 166.22 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -135.39 135.14 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -78.1 103.66 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.5 mt -124.14 121.68 62.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.7 mmm -133.57 162.73 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 38' ' ' VAL . 91.0 mt -123.73 140.76 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.45 101.83 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.64 -21.68 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.07 163.69 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.57 103.84 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -93.46 114.65 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -115.61 73.84 4.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.36 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.88 0.372 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.85 134.79 45.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 112.19 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 37.1 mt -99.69 157.39 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.7 tpp85 -125.72 154.49 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.1 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.65 26.82 7.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.575 ' OD2' HD21 ' A' ' 55' ' ' LEU . 25.2 m-20 -97.62 103.69 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -71.47 102.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.2 p -109.08 144.67 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.5 ttm -100.78 122.55 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.44 162.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -131.0 130.19 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.86 -174.12 4.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -178.19 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.98 -179.51 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -59.53 -35.81 74.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.6 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.94 39.5 2.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -117.46 139.05 51.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.9 m-85 -95.77 163.09 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.28 99.49 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.69 -169.53 11.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.6 pm0 -147.76 139.43 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.0 tp -138.51 105.13 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 20.83 24.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.84 19.22 59.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -129.7 122.34 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -89.99 154.97 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.39 174.96 35.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.11 129.42 34.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.32 156.25 47.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.802 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.82 127.68 14.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.68 21.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -116.75 -26.45 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.802 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.5 mt -83.83 -27.38 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.12 167.11 18.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -136.68 136.2 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -78.88 103.6 8.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -117.6 120.16 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.412 ' HB2' HD13 ' A' ' 67' ' ' LEU . 7.9 mmm -133.05 159.32 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 38' ' ' VAL . 92.9 mt -120.08 140.92 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.72 101.69 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -21.5 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.45 163.22 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.29 102.3 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.58 112.13 23.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.74 73.74 2.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.63 2.22 . . . . 0.0 112.387 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.61 132.76 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 120.02 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.1 mt -107.58 155.79 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -124.41 150.87 45.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.65 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.62 25.92 8.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -97.18 102.2 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 11' ' ' ILE . 97.3 t -69.39 99.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.76 144.63 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.0 ttm -99.96 127.78 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -110.59 172.86 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -146.07 141.09 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.16 -178.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.82 178.18 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.75 -171.46 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -67.2 -34.05 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.41 -25.96 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 39.9 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -116.83 140.29 49.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -96.81 160.79 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -106.0 100.36 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.02 -172.88 13.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.13 140.23 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -135.61 119.87 17.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.95 -13.34 63.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.83 16.44 4.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -127.77 125.45 39.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -88.48 156.37 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.41 -179.32 40.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.0 mt -87.02 127.46 35.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.7 156.16 45.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.72 127.75 15.07 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.48 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -116.89 -26.81 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -83.19 -27.79 29.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.6 mt -70.32 166.26 20.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.38 135.22 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -77.44 103.68 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.8 mtm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.5 mt -120.65 122.83 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.4 mmm -133.89 163.4 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 38' ' ' VAL . 89.3 mt -126.36 140.79 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.14 104.39 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.23 -18.14 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.56 162.37 35.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.4 m-20 -81.22 94.17 6.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -83.93 117.97 23.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -125.0 73.74 65.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.559 0.695 . . . . 0.0 110.809 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.246 . . . . 0.0 112.349 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.84 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD21 ' O ' ' A' ' 59' ' ' ARG . 54.1 mt -103.47 131.0 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 108.97 17.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 67' ' ' LEU . 15.0 mt -97.16 162.89 13.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -128.84 156.66 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -55.21 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.98 26.96 7.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.601 ' OD2' HD21 ' A' ' 55' ' ' LEU . 1.7 m-20 -97.48 103.53 15.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 99.3 t -71.47 99.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.3 144.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.4 ttm -99.91 124.49 45.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.44 173.59 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -144.28 138.51 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.63 -177.32 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.88 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.92 179.75 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.21 -171.66 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.59 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.67 39.7 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -117.24 138.41 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.41 ' HB2' HG23 ' A' ' 62' ' ' VAL . 11.5 m-85 -95.31 160.53 14.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -106.2 101.11 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.11 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -149.52 135.78 19.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' OD2' ' A' ' 37' ' ' ASP . 6.7 tp -133.2 114.4 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 52.9 16.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.09 22.23 54.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -125.94 111.3 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.528 ' O ' HD21 ' A' ' 31' ' ' LEU . 31.4 mtt-85 -93.05 160.87 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 172.68 22.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 mt -76.78 130.91 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.3 m -115.3 156.2 45.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.819 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.7 127.08 14.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.28 9.02 24.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -115.45 -25.68 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.4 mt -84.98 -28.32 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 33' ' ' LEU . 53.8 mt -71.51 165.36 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.42 136.09 43.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -78.58 103.6 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.744 0.307 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 mt -115.17 123.57 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 mmm -135.21 159.99 39.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 38' ' ' VAL . 91.3 mt -121.32 140.77 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.07 101.98 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.78 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.13 163.35 32.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.55 104.47 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.42 116.54 28.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -116.65 73.89 6.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.622 2.215 . . . . 0.0 112.396 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.1 128.97 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 118.77 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 42.1 mt -107.12 158.05 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 151.82 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.41 103.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.35 27.55 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 55' ' ' LEU . 16.3 m-20 -97.77 107.48 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 11' ' ' ILE . 94.9 t -76.1 102.22 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.9 p -109.34 143.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 ttm -99.92 120.35 39.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -100.85 163.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.11 137.22 47.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.3 -174.28 0.35 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.651 2.234 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.22 176.07 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.06 -171.61 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.07 -31.5 70.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.08 -25.86 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.87 40.0 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -118.4 136.94 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.84 100.06 9.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.23 -174.15 13.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -142.11 142.89 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.9 tp -144.67 105.12 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.15 20.92 29.01 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.01 23.59 51.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -134.64 119.19 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.62 155.07 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.95 -176.63 42.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -88.88 128.2 35.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.21 156.25 45.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 127.78 15.07 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.746 2.298 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.27 10.47 22.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -115.67 -25.92 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 94.4 mt -85.04 -26.58 26.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.65 167.35 18.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.94 138.21 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -81.51 103.37 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -117.6 122.78 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.409 ' HB2' HD13 ' A' ' 67' ' ' LEU . 10.3 mmm -134.5 160.01 39.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 90.9 mt -121.82 140.52 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.27 101.79 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.75 -20.66 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.75 163.08 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.57 103.36 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -93.11 115.75 28.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -117.33 73.78 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 59' ' ' ARG . 88.1 mt -103.72 131.85 50.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.89 113.21 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.85 161.3 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.9 mmt180 -129.25 156.93 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.9 101.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.33 6.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.643 ' OD2' HD21 ' A' ' 55' ' ' LEU . 4.3 m-20 -98.65 104.96 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.3 t -73.44 103.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.1 p -109.94 145.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.2 ttm -100.92 119.93 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.17 166.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.33 137.16 43.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.63 -174.33 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.33 176.1 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.1 178.29 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.66 -34.52 69.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -74.12 -25.73 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.75 38.58 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.43 136.85 52.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -93.39 163.59 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -108.57 98.48 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.75 -176.19 14.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -141.02 142.28 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD21 ' OD2' ' A' ' 37' ' ' ASP . 9.4 tp -141.92 108.08 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.07 20.4 33.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.19 24.28 48.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -137.92 119.85 15.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' HD21 ' A' ' 31' ' ' LEU . 55.0 mtt180 -84.74 162.49 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.9 27.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.87 127.88 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.92 156.3 45.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.67 14.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.56 10.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -116.48 -26.13 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.812 HD12 ' HG3' ' A' ' 63' ' ' PRO . 90.9 mt -84.7 -26.24 27.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 10' ' ' MET . 52.5 mt -71.59 166.57 21.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.07 136.74 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -79.42 103.55 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.747 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mt -119.08 122.7 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmm -134.54 160.44 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.585 HG12 HG22 ' A' ' 38' ' ' VAL . 91.4 mt -122.23 140.85 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.61 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.38 -21.41 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.34 163.73 31.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -84.06 103.87 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.3 114.76 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -116.45 73.66 5.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.83 123.8 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.2 157.65 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -126.0 152.99 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.8 103.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.46 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.53 ' OD2' HD21 ' A' ' 55' ' ' LEU . 11.5 m-20 -97.03 105.33 17.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 11' ' ' ILE . 96.2 t -73.84 102.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.3 p -109.18 144.56 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.4 ttm -99.61 120.66 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -136.08 136.87 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.93 -174.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.603 2.202 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.13 175.81 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -170.85 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.4 -33.29 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -74.95 -25.37 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.09 38.16 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -116.9 137.12 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -93.76 164.46 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -109.84 100.87 9.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.41 -173.15 14.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.81 143.52 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.7 tp -141.62 118.51 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.08 -13.39 63.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.5 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -128.92 127.94 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -91.34 153.9 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 168.97 -175.72 43.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.03 128.41 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.83 156.29 45.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.808 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.37 10.73 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -116.4 -25.83 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.7 mt -84.95 -27.37 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.44 166.36 20.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -135.68 136.87 41.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.64 103.47 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG22 ' HE1' ' A' ' 70' ' ' MET . 49.4 mt -118.55 117.92 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.513 ' HB2' HD13 ' A' ' 67' ' ' LEU . 2.9 mmm -130.82 145.59 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 38' ' ' VAL . 70.9 mt -108.51 140.01 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -69.52 102.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' LEU . . . -61.15 -21.62 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.25 161.71 37.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.1 m-20 -79.91 109.01 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -100.07 114.43 27.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.22 73.62 7.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.45 134.7 44.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.41 116.32 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 19.2 mt -103.19 159.1 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -127.51 150.63 49.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.28 104.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.32 25.24 9.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -96.74 103.87 15.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG22 ' CG1' ' A' ' 11' ' ' ILE . 86.5 t -69.41 98.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.33 143.8 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -102.08 129.23 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 m -111.18 175.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -147.69 136.96 22.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.59 -177.38 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 177.86 4.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -170.73 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.39 -33.87 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -73.36 -25.3 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.18 37.05 2.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -114.32 139.84 49.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.35 160.5 14.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -106.1 98.7 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 -169.1 11.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.98 136.41 15.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -132.45 107.93 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.76 24.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.17 19.71 64.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.455 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -128.56 116.45 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -85.21 157.14 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.32 172.67 32.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.65 127.37 32.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.38 156.06 46.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.76 128.46 16.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.9 19.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -116.28 -25.93 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.5 mt -84.93 -31.91 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 10' ' ' MET . 54.2 mt -65.29 167.39 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.4 137.89 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -85.34 103.6 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.775 ' HE1' HG22 ' A' ' 9' ' ' ILE . 4.1 mpp? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -119.03 122.1 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 154.87 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.539 HG12 HG22 ' A' ' 38' ' ' VAL . 79.5 mt -114.59 138.51 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HA ' HD23 ' A' ' 67' ' ' LEU . . . -70.49 100.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -21.61 61.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.0 mt -140.65 163.43 32.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.75 125.89 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.405 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.2 t80 -115.04 126.19 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.57 73.96 52.84 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.41 138.51 36.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 116.05 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 67' ' ' LEU . 30.3 mt -102.92 158.75 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -128.51 150.19 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 103.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.27 25.72 9.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.4 m-20 -95.99 102.32 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 11' ' ' ILE . 91.7 t -69.66 97.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.43 146.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.1 ttm -102.71 129.27 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 m -114.06 175.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -147.79 142.04 26.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.77 -179.41 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.94 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.17 178.46 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.58 -170.84 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.15 -33.52 73.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -74.58 -26.18 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.61 1.93 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -116.77 139.03 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.61 159.37 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.98 105.36 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.02 -171.98 17.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.34 138.99 21.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.1 tp -132.25 119.99 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.83 -12.92 64.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.49 4.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -128.03 123.71 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -85.66 154.54 21.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.65 169.48 30.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -77.11 127.6 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.08 156.11 44.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.718 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.85 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.76 127.64 14.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.08 8.83 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -113.17 -25.79 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -85.02 -32.14 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 33' ' ' LEU . 63.3 mt -69.79 167.33 17.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -134.23 127.12 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -71.75 104.16 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.35 122.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 mmm -133.19 163.92 28.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.563 HG12 HG22 ' A' ' 38' ' ' VAL . 85.1 mt -126.29 139.97 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 101.53 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.93 -22.52 62.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.18 163.41 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.73 118.99 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 66' ' ' LEU . 11.0 t80 -113.4 103.6 11.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.21 75.56 2.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.9 mt -103.49 136.05 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.06 125.67 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.3 163.34 16.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -130.32 154.63 47.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.62 103.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.87 26.82 8.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.96 103.9 15.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 11' ' ' ILE . 98.5 t -70.92 103.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.23 143.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -98.15 125.84 43.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.47 174.47 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.85 139.71 25.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.1 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -179.98 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.63 -171.93 3.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -76.34 -26.34 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.47 38.15 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -115.48 140.54 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.62 162.21 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -107.94 103.3 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.77 -172.59 14.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.18 140.13 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 tp -136.59 118.96 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.29 -14.04 62.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.85 16.42 4.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.22 122.51 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -86.3 154.42 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.25 173.0 34.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.15 130.25 35.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -116.98 156.06 48.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.838 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.77 127.84 15.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.24 8.88 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -114.2 -29.13 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.3 mt -79.8 -31.21 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.23 167.66 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -138.6 133.75 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -76.63 103.78 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.16 122.84 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 mmm -135.28 162.06 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 38' ' ' VAL . 86.4 mt -122.74 140.11 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -72.94 102.82 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.77 -22.15 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -138.81 163.53 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.67 110.9 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 66' ' ' LEU . 9.6 t80 -105.81 133.97 49.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.69 77.52 39.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 60' ' ' GLY . 89.2 mt -95.16 135.03 37.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.03 121.07 24.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 20.9 mt -107.38 162.04 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.6 tpt180 -130.23 150.03 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.46 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.37 27.02 8.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.671 ' OD2' HD21 ' A' ' 55' ' ' LEU . 20.7 m-20 -97.51 108.96 21.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 11' ' ' ILE . 88.9 t -76.84 98.67 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.5 p -103.64 145.86 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.47 124.21 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -104.1 166.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.83 124.01 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.92 -173.2 14.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.83 170.51 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.26 178.12 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -76.8 -23.81 52.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.26 32.61 5.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -115.15 139.99 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 62' ' ' VAL . 17.5 m-85 -92.45 154.41 18.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -99.82 99.04 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.43 -169.63 11.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.4 pm0 -148.69 137.82 21.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.671 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.9 tp -133.29 119.48 19.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.82 -13.27 63.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.58 16.18 4.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.52 126.2 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' O ' HD21 ' A' ' 31' ' ' LEU . 48.1 mtt180 -87.4 155.52 19.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 166.02 -175.88 41.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -89.97 127.12 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.7 m -113.28 155.63 44.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.859 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 126.6 13.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.384 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.22 7.59 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -112.09 -28.24 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.8 mt -80.83 -38.71 27.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD21 HD13 ' A' ' 33' ' ' LEU . 57.0 mt -59.97 167.56 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -137.17 138.23 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -82.31 103.23 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.86 131.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.6 mmm -140.49 163.47 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.601 HG12 HG22 ' A' ' 38' ' ' VAL . 72.7 mt -126.18 137.32 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.19 101.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -17.68 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.87 165.21 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.59 115.49 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -105.02 128.58 53.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.66 76.11 55.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.5 mt -98.34 139.7 33.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.55 103.91 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 55' ' ' LEU . 22.1 mt -94.33 178.25 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 mmm180 -145.66 158.02 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.72 102.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.83 22.51 9.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.5 m-20 -91.76 108.79 20.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 11' ' ' ILE . 88.7 t -77.8 100.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 HG11 ' A' ' 62' ' ' VAL . 7.2 p -103.86 146.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ttm -106.03 119.52 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -102.77 169.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -132.36 -77.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.64 170.84 52.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.6 6.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.11 163.88 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.36 -169.99 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -58.49 -30.98 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -75.61 -22.42 56.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.29 39.96 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -121.44 129.87 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.539 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.7 m-85 -84.99 173.63 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.962 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -116.6 94.82 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.91 -163.64 10.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.8 135.81 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 33' ' ' LEU . 4.4 tp -138.77 122.01 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.03 27.78 48.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.75 29.95 60.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.419 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.44 119.27 9.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' HD21 ' A' ' 31' ' ' LEU . 74.6 mtt180 -82.86 156.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.76 -175.49 41.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -86.16 131.13 34.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.539 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -115.69 155.44 47.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.58 6.33 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -114.82 -23.86 8.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 63' ' ' PRO . 71.2 mt -86.38 -41.83 14.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.8 mt -53.86 167.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -141.89 142.13 33.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -83.96 103.07 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mt -124.64 119.39 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.88 162.78 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 38' ' ' VAL . 79.7 mt -122.01 138.9 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.61 100.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.96 62.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.2 mt -140.53 163.41 32.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.04 125.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -113.92 120.99 42.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -124.06 73.51 56.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.58 134.58 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.17 111.25 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.39 166.91 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 20.5 tpp85 -133.86 153.35 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.71 102.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.91 31.56 5.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -102.69 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 11' ' ' ILE . 95.4 t -69.34 99.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.86 146.87 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.6 ttm -105.44 124.95 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -104.97 176.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -147.99 115.64 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.14 -176.6 53.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.11 179.5 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.24 -25.72 59.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.47 37.28 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -116.75 139.23 50.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.2 m-85 -95.35 165.14 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -108.96 98.54 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.68 -172.97 12.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.02 136.43 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.31 112.48 11.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.69 21.31 37.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 19.46 61.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -129.65 120.8 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -87.23 159.1 18.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.97 168.65 23.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.87 129.4 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.4 m -114.65 156.08 45.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.24 14.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.69 19.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -117.52 -29.57 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.4 mt -80.06 -34.52 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.4 mt -63.53 167.87 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -140.94 137.15 32.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -77.59 103.7 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mt -115.44 124.37 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.2 mmm -134.74 159.79 40.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 38' ' ' VAL . 80.7 mt -120.76 138.34 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.2 100.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.94 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.1 mt -141.11 163.73 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 125.27 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -114.33 120.89 41.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -123.5 73.81 51.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.308 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.81 136.93 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.5 111.52 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.34 164.91 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.1 157.17 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 104.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.31 29.77 7.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -100.28 102.13 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 11' ' ' ILE . 99.2 t -69.88 102.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.82 147.47 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.0 ttm -103.21 126.23 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.36 167.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -139.29 146.8 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.66 179.4 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.49 176.8 5.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -88.66 177.34 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -58.48 -33.14 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -75.62 -26.04 57.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.41 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -121.02 140.35 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 62' ' ' VAL . 13.6 m-85 -97.94 163.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -107.61 100.72 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.35 -172.63 13.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -148.83 138.29 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.04 106.27 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.25 25.31 16.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.66 66.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.93 116.39 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -83.52 160.86 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.16 167.45 20.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.26 130.06 39.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.26 156.21 47.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.81 127.07 14.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.15 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -116.27 -28.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.7 mt -81.97 -35.79 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.27 166.88 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -79.09 103.26 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 mt -119.27 124.2 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 mmm -135.16 159.5 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 38' ' ' VAL . 90.3 mt -122.22 140.52 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.21 102.07 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.51 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -139.73 163.17 33.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.05 105.1 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -95.23 115.78 27.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -117.4 73.9 7.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.311 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.9 mt -100.76 138.74 37.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 114.61 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 33.2 mt -103.34 158.33 16.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.2 tpp85 -125.98 154.54 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.44 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.15 25.91 8.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -96.43 104.51 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 11' ' ' ILE . 99.7 t -72.77 103.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.7 144.89 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.3 ttm -99.91 123.48 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.34 170.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -140.86 136.34 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.29 -177.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 177.02 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.96 -172.59 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -72.1 -26.01 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.37 35.69 3.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -113.74 139.18 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -95.45 160.46 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -107.07 101.25 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -166.68 10.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -152.33 135.93 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -135.37 113.68 11.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 51.84 8.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.59 21.97 51.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -128.39 118.3 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.588 ' O ' HD21 ' A' ' 31' ' ' LEU . 21.8 mtt-85 -96.98 160.99 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.486 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 157.9 175.82 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.39 130.18 35.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.26 156.15 47.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 111.158 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.89 11.49 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -116.35 -25.57 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 86.7 mt -85.72 -28.05 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.51 166.9 17.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -137.58 137.21 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -79.56 103.51 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -107.4 119.06 38.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.873 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -84.26 131.84 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.29 -129.66 2.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.34 45.18 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.363 . . . . 0.0 110.844 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -77.87 105.33 8.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.85 153.47 6.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -112.42 169.25 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -125.31 119.05 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.416 ' HB2' HD13 ' A' ' 67' ' ' LEU . 6.9 mmm -132.43 160.14 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 38' ' ' VAL . 91.7 mt -120.39 140.68 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.53 101.72 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.79 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -139.42 163.36 32.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.81 103.15 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -92.45 117.17 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.45 73.98 8.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.49 33.12 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.05 -28.01 24.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -87.93 93.96 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.34 45.0 4.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -55.68 171.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 172.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.11 -72.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.15 -157.73 9.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 59.18 39.03 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.6 -131.81 2.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -154.33 142.63 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.55 174.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -84.09 174.62 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 59' ' ' ARG . 96.9 mt -100.09 138.95 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.11 116.73 21.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.5 mt -104.57 155.82 18.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -123.75 151.03 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.61 26.06 8.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -97.59 102.22 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG22 HG12 ' A' ' 11' ' ' ILE . 98.0 t -69.18 99.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -103.79 145.48 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.1 ttm -100.93 124.69 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.7 m -106.73 173.51 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -146.89 137.53 23.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.72 179.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -177.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -101.12 -176.27 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.36 -38.29 73.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -70.1 -25.51 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.82 35.76 4.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -112.47 137.74 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -93.59 164.38 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.52 98.31 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.76 -174.84 13.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.45 135.6 19.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -132.39 107.05 8.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.39 29.17 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.17 76.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -128.03 115.13 18.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' O ' HD21 ' A' ' 31' ' ' LEU . 32.9 mtm180 -86.27 157.46 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.78 175.6 34.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.4 mt -82.01 127.54 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.1 156.16 44.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.75 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.86 11.63 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -117.57 -29.02 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.9 mt -80.98 -29.88 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 10' ' ' MET . 56.8 mt -68.13 166.24 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -135.81 133.78 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -76.03 103.89 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtm -55.91 163.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -119.23 173.62 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 73' ' ' HIS . 3.4 tt -90.95 112.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.432 ' O ' HD23 ' A' ' 72' ' ' LEU . 22.2 p80 -82.49 163.82 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.02 140.44 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.3 m80 . . . . . 0 C--N 1.33 -0.283 0 CA-C-O 120.713 0.292 . . . . 0.0 110.907 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -84.37 132.67 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -111.2 -27.78 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.0 120.65 3.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.29 46.15 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -121.77 118.19 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.92 150.2 26.66 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -95.18 165.82 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.1 mt -122.49 121.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mmm -133.42 163.34 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 38' ' ' VAL . 92.5 mt -125.04 140.89 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 101.78 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.27 -22.02 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.38 162.96 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.64 105.43 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -95.18 119.33 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -119.65 74.02 17.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.21 37.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.77 24.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.24 -26.9 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.84 46.71 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -87.68 -29.94 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 mtt -54.84 128.68 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -20.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.76 167.73 39.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -53.71 -55.29 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.41 37.7 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -37.73 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.24 150.85 48.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.0 179.27 7.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 60' ' ' GLY . 94.4 mt -93.2 133.29 36.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.33 119.56 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 mt -109.97 158.73 17.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -126.3 155.1 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.91 25.93 8.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD2' HD21 ' A' ' 55' ' ' LEU . 2.8 m-20 -96.85 102.16 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.575 HG22 HG12 ' A' ' 11' ' ' ILE . 96.4 t -69.72 101.94 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.96 144.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.9 ttm -98.55 125.24 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -107.32 174.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -147.75 137.93 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.68 -179.08 1.02 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 178.4 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.64 179.84 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.77 -33.56 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -75.33 -25.83 58.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.21 36.43 3.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -114.38 142.48 46.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.1 m-85 -98.59 159.81 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -104.05 96.67 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.32 -175.0 13.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.46 135.61 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -133.36 113.7 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.34 25.75 30.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.52 20.56 68.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -129.04 116.83 19.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -83.69 156.54 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 162.52 174.45 32.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.05 142.61 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -129.83 155.93 79.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 125.36 12.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.16 7.08 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -114.24 -27.1 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -83.11 -27.2 30.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.67 166.84 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -136.06 133.0 36.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -75.91 103.9 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.3 mtm -55.45 134.01 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -83.98 162.63 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.72 138.6 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -89.98 171.55 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.04 -155.57 49.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.851 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -138.69 139.45 38.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -115.38 136.67 52.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.97 128.2 1.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -122.33 158.2 30.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -112.25 120.52 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.75 168.73 43.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -96.39 159.6 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -116.33 120.39 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.7 mmm -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 38' ' ' VAL . 89.8 mt -124.37 140.71 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.52 102.92 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 -22.31 64.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.37 162.13 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.3 m-20 -80.67 105.93 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -96.14 111.9 23.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -115.6 73.57 4.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -17.28 37.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.84 -28.82 40.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.73 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.24 61.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.39 173.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.4 tpt -54.21 -49.54 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.85 75.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.16 -165.59 12.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -87.05 132.62 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 156.28 31.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp 57.93 31.8 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.86 149.77 18.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -62.76 169.13 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' O ' ' A' ' 59' ' ' ARG . 97.3 mt -99.6 137.77 37.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.56 113.15 20.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 22.8 mt -101.23 157.32 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -124.14 151.06 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.38 103.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.26 25.49 9.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -96.54 102.17 13.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 11' ' ' ILE . 98.6 t -69.1 95.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.91 144.42 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttm -100.2 126.25 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.65 172.53 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -145.9 142.5 28.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.19 -178.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -92.76 179.42 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.36 -35.62 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -72.51 -25.82 61.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.68 38.31 2.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -115.16 141.09 48.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -97.36 161.78 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.79 98.66 8.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.15 -174.22 13.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -150.46 135.76 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tp -129.84 111.59 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.43 25.1 34.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.63 19.57 65.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -126.06 111.88 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.51 ' O ' HD21 ' A' ' 31' ' ' LEU . 33.0 mtm180 -82.64 158.76 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.72 169.54 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.54 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.67 156.23 46.5 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.827 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.76 128.05 15.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.91 19.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -116.92 -27.64 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.827 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.0 mt -83.13 -29.62 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 33' ' ' LEU . 57.1 mt -68.84 166.43 17.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -136.02 134.79 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -76.65 103.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.7 mtm -56.02 147.62 19.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -85.59 116.11 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.0 tp -99.89 150.32 22.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -114.93 153.81 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.1 -152.3 6.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -95.09 145.76 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -52.99 -55.68 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.28 -72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -100.04 164.98 11.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -138.83 132.7 30.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.86 169.04 15.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -100.09 159.24 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.26 122.27 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -135.01 159.3 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 38' ' ' VAL . 92.1 mt -120.18 140.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.79 101.71 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.36 59.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.73 163.63 32.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.58 104.62 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.99 117.91 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -118.96 73.78 12.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.705 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -9.32 25.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.17 -27.9 24.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.99 99.65 3.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.12 21.67 56.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -53.83 -28.39 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 mmt -52.04 -68.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.55 -101.74 0.14 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.5 -36.79 0.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -88.11 176.52 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.39 -67.91 1.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -67.9 132.05 46.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.21 -173.31 27.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -78.38 173.08 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.1 mt -98.61 130.2 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.34 121.47 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -111.31 158.56 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -126.28 154.49 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.59 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.22 26.42 7.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -97.41 103.88 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 11' ' ' ILE . 95.7 t -71.68 101.97 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.55 146.57 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 ttm -102.19 123.64 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -112.62 165.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.01 147.33 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.25 176.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -171.03 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.28 171.58 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -170.71 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -69.42 -30.01 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -77.97 -27.42 49.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.08 44.29 1.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -121.78 141.03 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -99.46 163.62 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -106.79 99.82 9.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.93 -175.48 14.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.84 135.66 22.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -133.07 111.71 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.4 23.77 35.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.18 19.7 64.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -127.31 115.24 18.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -85.71 157.32 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.03 179.55 37.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.88 130.8 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.31 156.25 47.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.85 126.46 13.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 8.86 25.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -116.37 -25.73 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -84.48 -28.28 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.54 166.5 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.17 136.22 39.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -77.24 103.67 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.2 mtm -53.58 -35.74 61.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -107.43 156.28 19.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mp -107.62 110.98 22.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -78.27 155.53 30.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.33 -149.97 36.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 133.42 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.63 148.92 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.68 -55.7 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -58.98 -30.43 67.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -122.06 160.63 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.04 168.49 6.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 149.38 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.3 mt -115.43 123.1 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.431 ' HB2' HD13 ' A' ' 67' ' ' LEU . 8.4 mmm -134.04 158.29 43.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 38' ' ' VAL . 90.4 mt -119.09 140.47 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.09 101.95 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 -21.25 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.93 162.68 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.86 105.97 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -96.02 117.98 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.81 73.73 12.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.16 -28.02 25.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.69 100.33 9.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 21.3 52.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -56.53 -25.72 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp -52.05 -30.07 24.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.39 80.25 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.11 -168.82 27.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.508 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -76.05 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.71 -62.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -98.58 153.56 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 171.4 47.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -79.4 171.88 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 59' ' ' ARG . 76.4 mt -97.41 131.43 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.4 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.4 mt -104.34 159.73 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.0 mmt85 -127.7 155.28 44.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 101.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.64 25.3 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HD21 ' A' ' 55' ' ' LEU . 7.5 m-20 -95.83 102.89 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -70.88 101.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.62 146.24 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.22 126.02 49.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -113.82 164.36 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.8 148.69 47.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.5 177.89 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.63 171.13 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 177.64 8.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.73 -33.9 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.01 -26.48 59.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.06 41.41 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -118.88 140.67 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.46 163.85 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -108.09 100.42 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.74 -172.4 13.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -149.09 136.34 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.8 tp -131.9 106.1 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.95 31.16 10.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.85 20.18 78.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -127.26 113.32 16.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' O ' HD21 ' A' ' 31' ' ' LEU . 35.9 mtt180 -84.59 160.62 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.53 176.31 30.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.0 mt -82.47 131.69 35.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -117.82 156.13 50.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.77 126.98 13.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.52 10.78 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' HG3' ' A' ' 63' ' ' PRO . 85.5 mt -85.19 -29.71 24.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.2 mt -68.12 165.07 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -135.14 136.43 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.56 103.56 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.44 162.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -94.46 153.11 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.0 mt -98.26 131.75 44.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -92.46 151.74 20.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.93 -171.78 44.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m 60.0 35.75 21.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -83.5 126.78 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.82 -131.34 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -96.57 157.19 16.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -137.89 115.53 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.33 163.77 38.81 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -99.59 158.9 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.715 0.293 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 mt -115.61 121.15 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 mmm -133.11 159.36 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 91.8 mt -121.13 140.94 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 101.59 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.32 -21.42 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -139.49 163.61 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.41 103.73 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.38 112.47 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -115.36 73.83 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.15 32.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.282 . . . . 0.0 112.294 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.16 144.78 5.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.37 -29.8 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.69 92.54 1.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -108.33 -27.84 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.2 ttm -52.51 -29.99 27.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.43 122.15 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.86 146.26 2.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -78.48 106.98 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.0 -24.29 27.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 170.28 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 136.28 2.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -109.13 174.3 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.2 mt -97.69 131.83 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.9 118.67 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -108.88 158.5 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -125.96 154.28 43.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 102.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.75 25.93 8.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -96.64 102.65 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.7 t -70.46 99.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.36 144.47 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.6 ttm -99.25 127.8 45.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 m -111.17 171.58 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -144.61 142.16 29.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.1 -177.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.706 2.27 . . . . 0.0 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.32 179.9 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.58 178.83 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -59.23 -34.2 71.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.96 -25.64 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.02 39.2 2.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -117.14 139.9 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.9 161.51 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -106.73 99.83 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.61 -172.81 13.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.44 140.0 23.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.91 118.57 18.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.33 -13.89 62.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.78 4.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -127.8 117.4 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -80.51 158.96 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.61 177.5 36.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.31 127.29 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.64 156.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.824 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 128.07 15.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.78 11.32 20.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -116.81 -26.56 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.824 HD12 ' HG3' ' A' ' 63' ' ' PRO . 93.5 mt -84.07 -27.62 28.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.44 166.22 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -135.39 135.14 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -78.1 103.66 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm -55.38 133.06 49.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -82.39 149.05 27.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp 57.65 41.38 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -66.8 168.95 8.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.34 179.92 31.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -164.97 153.51 12.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -109.89 116.71 32.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.82 31.35 2.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -73.92 158.92 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m 57.88 46.79 16.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.45 154.8 2.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -91.46 170.58 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.5 mt -124.14 121.68 62.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.7 mmm -133.57 162.73 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 38' ' ' VAL . 91.0 mt -123.73 140.76 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.45 101.83 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.64 -21.68 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.07 163.69 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.57 103.84 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -93.46 114.65 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -115.61 73.84 4.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.48 37.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.47 140.89 3.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.79 -29.63 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 173.82 19.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -58.39 -27.12 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ttt 59.21 35.85 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.03 169.61 28.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.1 143.95 15.85 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -102.02 106.59 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.06 21.76 54.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -122.53 175.69 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.3 113.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -83.1 165.71 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.85 134.79 45.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 112.19 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 37.1 mt -99.69 157.39 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.7 tpp85 -125.72 154.49 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.1 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.65 26.82 7.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.575 ' OD2' HD21 ' A' ' 55' ' ' LEU . 25.2 m-20 -97.62 103.69 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 11' ' ' ILE . 99.1 t -71.47 102.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.2 p -109.08 144.67 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.5 ttm -100.78 122.55 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.44 162.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -131.0 130.19 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.86 -174.12 4.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.84 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -178.19 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.98 -179.51 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -59.53 -35.81 74.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.6 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.94 39.5 2.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -117.46 139.05 51.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.9 m-85 -95.77 163.09 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.28 99.49 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.69 -169.53 11.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.6 pm0 -147.76 139.43 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' OD2' ' A' ' 37' ' ' ASP . 5.0 tp -138.51 105.13 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 20.83 24.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.84 19.22 59.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -129.7 122.34 28.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -89.99 154.97 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.39 174.96 35.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.11 129.42 34.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.32 156.25 47.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.802 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.82 127.68 14.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.68 21.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -116.75 -26.45 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.802 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.5 mt -83.83 -27.38 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.12 167.11 18.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -136.68 136.2 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -78.88 103.6 8.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm -54.07 -42.22 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -89.75 -49.59 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER 57.32 46.02 19.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -87.54 138.3 31.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.2 179.73 42.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 64.4 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -98.94 142.05 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.14 33.19 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.39 150.79 19.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -77.06 146.17 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -61.17 -42.28 98.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.78 -179.33 16.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -98.09 160.9 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -117.6 120.16 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.412 ' HB2' HD13 ' A' ' 67' ' ' LEU . 7.9 mmm -133.05 159.32 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 38' ' ' VAL . 92.9 mt -120.08 140.92 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.72 101.69 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -21.5 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -139.45 163.22 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -84.29 102.3 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.58 112.13 23.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.74 73.74 2.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.54 37.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.63 2.22 . . . . 0.0 112.387 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 143.51 10.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.52 141.04 16.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.86 173.86 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ttm -105.14 146.5 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.27 85.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.49 -149.12 16.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.506 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -140.78 135.26 31.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.77 -147.83 17.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -112.5 153.37 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.59 -140.04 4.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -63.19 163.53 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.61 132.76 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 120.02 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 23.1 mt -107.58 155.79 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -124.41 150.87 45.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.65 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.62 25.92 8.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -97.18 102.2 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 11' ' ' ILE . 97.3 t -69.39 99.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.76 144.63 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.0 ttm -99.96 127.78 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -110.59 172.86 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -146.07 141.09 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.16 -178.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.82 178.18 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.75 -171.46 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -67.2 -34.05 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.41 -25.96 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 39.9 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -116.83 140.29 49.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -96.81 160.79 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -106.0 100.36 9.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.02 -172.88 13.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.13 140.23 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -135.61 119.87 17.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.95 -13.34 63.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.83 16.44 4.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -127.77 125.45 39.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -88.48 156.37 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.41 -179.32 40.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.0 mt -87.02 127.46 35.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.7 156.16 45.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.8 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.72 127.75 15.07 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 10.48 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -116.89 -26.81 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.3 mt -83.19 -27.79 29.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 10' ' ' MET . 53.6 mt -70.32 166.26 20.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.38 135.22 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -77.44 103.68 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.8 mtm -55.22 152.66 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -86.71 164.14 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.72 177.54 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -105.68 -29.07 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.02 -112.95 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -97.23 117.4 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -69.75 134.67 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.16 156.55 27.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -116.32 117.56 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -73.02 -27.84 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.46 179.19 24.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -94.16 164.19 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.5 mt -120.65 122.83 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.4 mmm -133.89 163.4 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 38' ' ' VAL . 89.3 mt -126.36 140.79 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.14 104.39 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.23 -18.14 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.56 162.37 35.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.4 m-20 -81.22 94.17 6.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -83.93 117.97 23.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -125.0 73.74 65.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.559 0.695 . . . . 0.0 110.809 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.03 37.89 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.246 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.08 -27.85 39.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.58 -31.75 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.06 31.93 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -52.3 -30.93 30.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.9 mmm -53.53 -34.3 57.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.57 103.57 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.43 95.72 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -69.58 163.69 24.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.7 -70.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -145.1 135.9 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.52 -172.82 25.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -103.1 175.76 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD21 ' O ' ' A' ' 59' ' ' ARG . 54.1 mt -103.47 131.0 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 108.97 17.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 67' ' ' LEU . 15.0 mt -97.16 162.89 13.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -128.84 156.66 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.542 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -55.21 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.98 26.96 7.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.601 ' OD2' HD21 ' A' ' 55' ' ' LEU . 1.7 m-20 -97.48 103.53 15.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 99.3 t -71.47 99.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.3 144.72 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.4 ttm -99.91 124.49 45.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.44 173.59 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -144.28 138.51 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.63 -177.32 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.88 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.92 179.75 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.21 -171.66 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.59 -26.04 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.67 39.7 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -117.24 138.41 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.41 ' HB2' HG23 ' A' ' 62' ' ' VAL . 11.5 m-85 -95.31 160.53 14.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -106.2 101.11 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.11 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -149.52 135.78 19.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' OD2' ' A' ' 37' ' ' ASP . 6.7 tp -133.2 114.4 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 52.9 16.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.09 22.23 54.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -125.94 111.3 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.528 ' O ' HD21 ' A' ' 31' ' ' LEU . 31.4 mtt-85 -93.05 160.87 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 172.68 22.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 mt -76.78 130.91 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.3 m -115.3 156.2 45.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.819 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.7 127.08 14.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.28 9.02 24.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -115.45 -25.68 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 63' ' ' PRO . 97.4 mt -84.98 -28.32 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 33' ' ' LEU . 53.8 mt -71.51 165.36 24.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.42 136.09 43.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -78.58 103.6 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mtm -54.91 156.87 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.5 t -92.37 142.44 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.63 150.11 49.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -57.19 -41.9 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.17 100.15 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.86 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -142.78 152.34 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.8 132.91 2.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 57.84 44.38 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 m -96.96 -41.08 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 177.44 28.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -98.29 159.61 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 mt -115.17 123.57 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 mmm -135.21 159.99 39.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 38' ' ' VAL . 91.3 mt -121.32 140.77 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -73.07 101.98 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.78 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -140.13 163.35 32.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.55 104.47 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -94.42 116.54 28.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -116.65 73.89 6.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -10.12 27.78 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.622 2.215 . . . . 0.0 112.396 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.18 -28.13 25.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -87.92 99.14 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.88 28.66 22.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -52.6 -36.82 57.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.91 109.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.89 96.44 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.86 -123.13 1.47 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -95.06 -61.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.74 -87.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -58.36 141.03 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.71 -179.65 48.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -87.47 170.22 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.1 128.97 42.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 118.77 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 42.1 mt -107.12 158.05 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 151.82 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.41 103.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.35 27.55 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 55' ' ' LEU . 16.3 m-20 -97.77 107.48 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 11' ' ' ILE . 94.9 t -76.1 102.22 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.9 p -109.34 143.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 ttm -99.92 120.35 39.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -100.85 163.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.11 137.22 47.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.3 -174.28 0.35 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.651 2.234 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.22 176.07 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.06 -171.61 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.07 -31.5 70.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -76.08 -25.86 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.87 40.0 2.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -118.4 136.94 53.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.84 100.06 9.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.23 -174.15 13.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -142.11 142.89 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.9 tp -144.67 105.12 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.15 20.92 29.01 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.01 23.59 51.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -134.64 119.19 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.62 155.07 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.95 -176.63 42.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -88.88 128.2 35.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.21 156.25 45.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.826 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 127.78 15.07 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.746 2.298 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.27 10.47 22.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -115.67 -25.92 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.826 HD12 ' HG3' ' A' ' 63' ' ' PRO . 94.4 mt -85.04 -26.58 26.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.65 167.35 18.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.94 138.21 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -81.51 103.37 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.4 mtm -55.47 150.8 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -93.64 130.88 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -26.8 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.74 39.08 29.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.18 52.36 0.83 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.3 m80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.839 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -85.97 -52.38 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -114.42 164.05 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.56 -108.85 3.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -124.43 174.45 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -115.51 128.19 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.74 169.36 32.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.48 162.16 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -117.6 122.78 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.409 ' HB2' HD13 ' A' ' 67' ' ' LEU . 10.3 mmm -134.5 160.01 39.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 38' ' ' VAL . 90.9 mt -121.82 140.52 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.27 101.79 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.75 -20.66 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.75 163.08 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -83.57 103.36 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -93.11 115.75 28.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -117.33 73.78 7.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -14.66 36.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.87 -117.83 4.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -150.09 178.55 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.81 8.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.03 -40.68 90.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 167.39 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.04 -117.51 2.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.73 -142.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -83.59 159.18 21.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.51 132.11 7.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.545 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.1 113.49 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.9 164.18 22.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -93.36 167.41 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 59' ' ' ARG . 88.1 mt -103.72 131.85 50.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.89 113.21 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.85 161.3 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.9 mmt180 -129.25 156.93 43.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.9 101.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.33 6.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.643 ' OD2' HD21 ' A' ' 55' ' ' LEU . 4.3 m-20 -98.65 104.96 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 HG12 ' A' ' 11' ' ' ILE . 98.3 t -73.44 103.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.1 p -109.94 145.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.2 ttm -100.92 119.93 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -101.17 166.05 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.33 137.16 43.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.63 -174.33 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.33 176.1 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.1 178.29 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.66 -34.52 69.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -74.12 -25.73 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.75 38.58 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -117.43 136.85 52.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -93.39 163.59 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -108.57 98.48 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.75 -176.19 14.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -141.02 142.28 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD21 ' OD2' ' A' ' 37' ' ' ASP . 9.4 tp -141.92 108.08 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.07 20.4 33.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.19 24.28 48.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -137.92 119.85 15.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' HD21 ' A' ' 31' ' ' LEU . 55.0 mtt180 -84.74 162.49 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.9 27.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.87 127.88 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.92 156.3 45.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.67 14.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.56 10.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -116.48 -26.13 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.812 HD12 ' HG3' ' A' ' 63' ' ' PRO . 90.9 mt -84.7 -26.24 27.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 10' ' ' MET . 52.5 mt -71.59 166.57 21.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.07 136.74 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -79.42 103.55 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mtm -56.41 158.54 4.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p -132.53 148.88 52.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.74 -31.75 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -73.62 -28.58 61.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.33 -155.25 10.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 p80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -167.65 165.39 14.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -92.23 -64.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.35 162.51 10.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -80.21 115.62 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -82.17 -31.52 30.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.4 -179.62 16.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -93.08 164.27 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mt -119.08 122.7 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmm -134.54 160.44 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.585 HG12 HG22 ' A' ' 38' ' ' VAL . 91.4 mt -122.23 140.85 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.61 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.38 -21.41 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -139.34 163.73 31.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -84.06 103.87 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -94.3 114.76 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -116.45 73.66 5.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -13.5 34.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.16 -28.28 25.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -53.2 -28.97 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.36 109.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -47.1 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -53.53 129.01 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.95 -38.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.87 -132.78 6.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -87.88 -68.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.14 22.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 175.33 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.77 160.1 27.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -79.89 165.83 22.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.83 123.8 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.2 157.65 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -126.0 152.99 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.8 103.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.46 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.53 ' OD2' HD21 ' A' ' 55' ' ' LEU . 11.5 m-20 -97.03 105.33 17.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 11' ' ' ILE . 96.2 t -73.84 102.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.3 p -109.18 144.56 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.4 ttm -99.61 120.66 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -136.08 136.87 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.93 -174.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.603 2.202 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.13 175.81 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 -170.85 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.4 -33.29 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -74.95 -25.37 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.09 38.16 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -116.9 137.12 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -93.76 164.46 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -109.84 100.87 9.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.41 -173.15 14.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.81 143.52 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.7 tp -141.62 118.51 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.08 -13.39 63.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.79 16.5 4.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -128.92 127.94 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -91.34 153.9 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 168.97 -175.72 43.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.03 128.41 36.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.83 156.29 45.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.808 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.37 10.73 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -116.4 -25.83 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.7 mt -84.95 -27.37 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.44 166.36 20.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -135.68 136.87 41.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.64 103.47 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.4 mtm -55.06 -39.27 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t 55.75 30.74 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.43 141.3 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -113.33 159.43 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.51 -37.67 0.9 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -76.38 -52.41 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.366 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -71.02 150.19 45.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.72 141.96 15.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -75.52 -39.23 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -137.44 166.56 23.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.47 168.77 34.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -99.82 159.35 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG22 ' HE1' ' A' ' 70' ' ' MET . 49.4 mt -118.55 117.92 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HB2' HD13 ' A' ' 67' ' ' LEU . 2.9 mmm -130.82 145.59 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 38' ' ' VAL . 70.9 mt -108.51 140.01 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -69.52 102.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' LEU . . . -61.15 -21.62 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -140.25 161.71 37.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 35' ' ' ALA . 1.1 m-20 -79.91 109.01 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -100.07 114.43 27.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -117.22 73.62 7.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.28 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.74 128.07 2.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.86 -29.24 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.84 120.97 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -76.77 -37.25 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.97 133.27 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.94 -29.03 2.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 -107.16 2.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -141.69 107.29 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.37 -140.91 29.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -79.31 109.22 13.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.56 162.76 3.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -72.87 165.27 25.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.45 134.7 44.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.41 116.32 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 19.2 mt -103.19 159.1 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -127.51 150.63 49.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . . . -51.28 104.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.32 25.24 9.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -96.74 103.87 15.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG22 ' CG1' ' A' ' 11' ' ' ILE . 86.5 t -69.41 98.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.33 143.8 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -102.08 129.23 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 m -111.18 175.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -147.69 136.96 22.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.59 -177.38 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 177.86 4.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -170.73 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.39 -33.87 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -73.36 -25.3 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.18 37.05 2.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -114.32 139.84 49.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.35 160.5 14.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -106.1 98.7 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 -169.1 11.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.98 136.41 15.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -132.45 107.93 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.76 24.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.17 19.71 64.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.455 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -128.56 116.45 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -85.21 157.14 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.32 172.67 32.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.65 127.37 32.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -115.38 156.06 46.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.76 128.46 16.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.08 11.9 19.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -116.28 -25.93 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.5 mt -84.93 -31.91 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 10' ' ' MET . 54.2 mt -65.29 167.39 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.4 137.89 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -85.34 103.6 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.775 ' HE1' HG22 ' A' ' 9' ' ' ILE . 4.1 mpp? -69.67 -41.26 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 p -85.23 165.44 17.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pp -109.79 147.73 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -112.97 134.73 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 p80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.88 -179.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -123.08 107.33 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -69.14 169.64 11.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.14 -110.94 3.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -116.55 132.43 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -108.41 159.29 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.55 170.22 16.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -114.19 154.46 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -119.03 122.1 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.54 154.87 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.539 HG12 HG22 ' A' ' 38' ' ' VAL . 79.5 mt -114.59 138.51 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HA ' HD23 ' A' ' 67' ' ' LEU . . . -70.49 100.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -21.61 61.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.0 mt -140.65 163.43 32.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.75 125.89 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.405 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.2 t80 -115.04 126.19 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.57 73.96 52.84 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -12.98 34.1 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -27.94 24.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.83 103.88 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.88 21.87 60.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -53.8 -31.97 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.4 mtm -52.17 -43.93 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.15 99.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.45 -174.25 42.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -58.54 -66.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 -81.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.91 156.49 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.37 166.46 24.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.545 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -84.29 169.35 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -99.41 138.51 36.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 116.05 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 67' ' ' LEU . 30.3 mt -102.92 158.75 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -128.51 150.19 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 103.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.27 25.72 9.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.4 m-20 -95.99 102.32 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 11' ' ' ILE . 91.7 t -69.66 97.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.43 146.12 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.1 ttm -102.71 129.27 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 m -114.06 175.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -147.79 142.04 26.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.77 -179.41 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.94 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.17 178.46 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.58 -170.84 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.15 -33.52 73.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -74.58 -26.18 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.61 1.93 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -116.77 139.03 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.61 159.37 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -103.98 105.36 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.02 -171.98 17.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.34 138.99 21.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD21 ' OD2' ' A' ' 37' ' ' ASP . 7.1 tp -132.25 119.99 21.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.83 -12.92 64.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.49 4.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -128.03 123.71 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -85.66 154.54 21.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.65 169.48 30.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -77.11 127.6 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -114.08 156.11 44.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.718 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.85 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.76 127.64 14.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.08 8.83 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -113.17 -25.79 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 63' ' ' PRO . 96.3 mt -85.02 -32.14 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 33' ' ' LEU . 63.3 mt -69.79 167.33 17.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -134.23 127.12 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -71.75 104.16 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm -59.22 164.19 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.0 m -148.4 115.91 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.21 -31.32 42.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -88.97 160.29 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.6 169.52 39.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -100.28 138.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.69 166.76 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.15 -73.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -87.03 167.4 14.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -135.86 123.66 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.33 -179.8 28.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -103.1 165.27 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.35 122.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 mmm -133.19 163.92 28.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.563 HG12 HG22 ' A' ' 38' ' ' VAL . 85.1 mt -126.29 139.97 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 101.53 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.93 -22.52 62.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -139.18 163.41 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.73 118.99 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 66' ' ' LEU . 11.0 t80 -113.4 103.6 11.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.21 75.56 2.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -15.39 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.98 123.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.52 -32.87 70.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.7 81.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -54.86 -27.09 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -52.28 66.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.26 117.93 11.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.74 -115.47 0.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -92.49 -50.0 5.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.56 -65.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.23 -26.36 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.82 178.1 2.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -90.82 173.53 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.9 mt -103.49 136.05 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.06 125.67 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.3 163.34 16.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -130.32 154.63 47.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.62 103.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.87 26.82 8.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.96 103.9 15.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 11' ' ' ILE . 98.5 t -70.92 103.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.23 143.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.9 ttm -98.15 125.84 43.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -108.47 174.47 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.85 139.71 25.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.1 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -179.98 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.63 -171.93 3.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -76.34 -26.34 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.47 38.15 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -115.48 140.54 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -97.62 162.21 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -107.94 103.3 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.77 -172.59 14.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.18 140.13 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 tp -136.59 118.96 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.29 -14.04 62.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.85 16.42 4.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.22 122.51 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -86.3 154.42 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.25 173.0 34.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.15 130.25 35.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -116.98 156.06 48.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 111.115 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.838 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.77 127.84 15.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.24 8.88 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -114.2 -29.13 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.3 mt -79.8 -31.21 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.23 167.66 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -138.6 133.75 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -76.63 103.78 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtm -55.35 136.09 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -87.61 170.08 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pp -86.64 -27.89 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.59 152.6 40.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.12 98.46 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t 61.04 42.65 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -103.6 -35.27 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.49 149.44 21.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 m -156.8 149.77 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -145.26 167.78 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.59 160.22 19.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -93.61 174.46 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.16 122.84 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 mmm -135.28 162.06 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 38' ' ' VAL . 86.4 mt -122.74 140.11 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . . . -72.94 102.82 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.77 -22.15 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mt -138.81 163.53 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.67 110.9 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 66' ' ' LEU . 9.6 t80 -105.81 133.97 49.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.69 77.52 39.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.54 37.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.31 135.1 3.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.33 -28.72 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.99 80.61 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -53.69 -28.88 36.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ptm -76.46 165.04 25.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 52.07 1.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.542 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.37 -143.3 4.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -73.55 -26.04 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.37 -47.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 164.87 28.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.84 -150.29 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -106.72 159.47 16.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 60' ' ' GLY . 89.2 mt -95.16 135.03 37.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.03 121.07 24.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 20.9 mt -107.38 162.04 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.6 tpt180 -130.23 150.03 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.46 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.37 27.02 8.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.671 ' OD2' HD21 ' A' ' 55' ' ' LEU . 20.7 m-20 -97.51 108.96 21.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 11' ' ' ILE . 88.9 t -76.84 98.67 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 54' ' ' GLU . 7.5 p -103.64 145.86 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 ttm -102.47 124.21 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -104.1 166.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.83 124.01 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.92 -173.2 14.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.83 170.51 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.26 178.12 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -76.8 -23.81 52.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.26 32.61 5.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -115.15 139.99 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 62' ' ' VAL . 17.5 m-85 -92.45 154.41 18.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -99.82 99.04 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.43 -169.63 11.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.4 pm0 -148.69 137.82 21.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.671 HD21 ' OD2' ' A' ' 37' ' ' ASP . 8.9 tp -133.29 119.48 19.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.82 -13.27 63.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.58 16.18 4.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.52 126.2 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' O ' HD21 ' A' ' 31' ' ' LEU . 48.1 mtt180 -87.4 155.52 19.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 166.02 -175.88 41.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -89.97 127.12 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.7 m -113.28 155.63 44.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.859 ' HG3' HD12 ' A' ' 66' ' ' LEU . 54.2 Cg_endo -69.71 126.6 13.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.384 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.22 7.59 27.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -112.09 -28.24 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.8 mt -80.83 -38.71 27.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD21 HD13 ' A' ' 33' ' ' LEU . 57.0 mt -59.97 167.56 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -137.17 138.23 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -82.31 103.23 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mtm -54.3 154.32 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 t -108.66 161.32 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tt -121.84 117.98 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -120.85 172.9 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.57 -172.33 32.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.924 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -79.55 169.88 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -100.9 -31.97 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 60.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -112.76 -29.32 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -75.75 -68.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.18 165.57 14.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -101.14 156.05 17.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.86 131.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.6 mmm -140.49 163.47 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.601 HG12 HG22 ' A' ' 38' ' ' VAL . 72.7 mt -126.18 137.32 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.19 101.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -17.68 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.87 165.21 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.59 115.49 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -105.02 128.58 53.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.66 76.11 55.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -11.29 30.52 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.45 -27.55 33.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -26.19 40.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.88 41.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -53.28 -33.78 54.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.99 110.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.62 -61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.18 163.45 23.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -64.65 -30.84 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -176.28 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 140.64 58.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.57 167.13 33.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -54.26 157.16 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.5 mt -98.34 139.7 33.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.55 103.91 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 55' ' ' LEU . 22.1 mt -94.33 178.25 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 mmm180 -145.66 158.02 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.72 102.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.83 22.51 9.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD2' HD21 ' A' ' 55' ' ' LEU . 15.5 m-20 -91.76 108.79 20.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 11' ' ' ILE . 88.7 t -77.8 100.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 HG11 ' A' ' 62' ' ' VAL . 7.2 p -103.86 146.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ttm -106.03 119.52 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -102.77 169.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -132.36 -77.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.64 170.84 52.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.6 6.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.365 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.11 163.88 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.36 -169.99 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -58.49 -30.98 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -75.61 -22.42 56.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.29 39.96 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -121.44 129.87 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.539 ' HB2' HG23 ' A' ' 62' ' ' VAL . 12.7 m-85 -84.99 173.63 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.962 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -116.6 94.82 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.91 -163.64 10.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -149.8 135.81 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 HD22 ' A' ' 33' ' ' LEU . 4.4 tp -138.77 122.01 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.03 27.78 48.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.75 29.95 60.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.419 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.44 119.27 9.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' HD21 ' A' ' 31' ' ' LEU . 74.6 mtt180 -82.86 156.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.76 -175.49 41.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -86.16 131.13 34.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.539 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.6 m -115.69 155.44 47.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.82 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.58 6.33 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -114.82 -23.86 8.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HG3' ' A' ' 63' ' ' PRO . 71.2 mt -86.38 -41.83 14.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.8 mt -53.86 167.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -141.89 142.13 33.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -83.96 103.07 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.9 mtm -52.51 125.04 15.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 p -72.15 163.96 27.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.43 153.65 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -82.59 136.41 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.27 -175.68 17.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.86 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -107.19 -32.2 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -133.73 135.38 43.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.26 113.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -81.72 -50.31 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 m -55.76 129.01 37.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.28 0.47 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 163.56 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mt -124.64 119.39 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.88 162.78 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 38' ' ' VAL . 79.7 mt -122.01 138.9 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.61 100.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.96 62.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.2 mt -140.53 163.41 32.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.04 125.71 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -113.92 120.99 42.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -124.06 73.51 56.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.71 36.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.56 133.84 5.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.28 -179.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.84 -75.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 39.2 42.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -135.33 179.77 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.95 -115.02 1.59 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.51 -70.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -74.25 -65.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.89 115.26 7.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -64.67 -50.56 66.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.19 135.49 8.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -80.45 164.2 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.58 134.58 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.17 111.25 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.39 166.91 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 20.5 tpp85 -133.86 153.35 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.71 102.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.91 31.56 5.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -102.69 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 11' ' ' ILE . 95.4 t -69.34 99.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -105.86 146.87 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.6 ttm -105.44 124.95 50.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -104.97 176.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -147.99 115.64 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.14 -176.6 53.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.11 179.5 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.24 -25.72 59.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.47 37.28 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -116.75 139.23 50.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HB2' HG23 ' A' ' 62' ' ' VAL . 14.2 m-85 -95.35 165.14 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -108.96 98.54 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.68 -172.97 12.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.02 136.43 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.31 112.48 11.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.69 21.31 37.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 19.46 61.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -129.65 120.8 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -87.23 159.1 18.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.97 168.65 23.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.87 129.4 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.4 m -114.65 156.08 45.25 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.73 127.24 14.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.69 19.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -117.52 -29.57 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' A' ' 63' ' ' PRO . 92.4 mt -80.06 -34.52 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.4 mt -63.53 167.87 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -140.94 137.15 32.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -77.59 103.7 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm -53.97 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 p -61.07 141.87 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.46 174.14 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -85.92 175.21 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.58 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.2 m80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -70.36 124.05 23.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -110.85 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 132.1 4.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -79.33 178.65 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.61 155.57 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.84 170.05 54.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 149.25 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mt -115.44 124.37 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.2 mmm -134.74 159.79 40.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 38' ' ' VAL . 80.7 mt -120.76 138.34 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -70.2 100.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.94 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HB2' HD22 ' A' ' 66' ' ' LEU . 3.1 mt -141.11 163.73 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 125.27 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -114.33 120.89 41.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -123.5 73.81 51.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.41 37.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.7 123.41 3.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -54.48 173.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.14 -76.49 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 39.56 41.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 mtt -141.26 168.85 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.43 -52.99 3.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.92 165.18 47.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -97.12 -35.16 10.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.42 -35.81 1.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -76.76 146.47 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.38 81.23 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -80.25 165.64 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.81 136.93 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.5 111.52 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.34 164.91 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.1 157.17 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.58 104.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.31 29.77 7.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -100.28 102.13 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 11' ' ' ILE . 99.2 t -69.88 102.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.82 147.47 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.0 ttm -103.21 126.23 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.36 167.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -139.29 146.8 40.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.66 179.4 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.49 176.8 5.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -88.66 177.34 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -58.48 -33.14 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -75.62 -26.04 57.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.41 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -121.02 140.35 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 62' ' ' VAL . 13.6 m-85 -97.94 163.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -107.61 100.72 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.35 -172.63 13.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -148.83 138.29 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.04 106.27 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.25 25.31 16.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.66 66.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.93 116.39 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -83.52 160.86 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.16 167.45 20.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.26 130.06 39.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 51' ' ' TYR . 3.2 m -116.26 156.21 47.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.81 127.07 14.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.65 11.15 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -116.27 -28.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 88.7 mt -81.97 -35.79 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.27 166.88 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -79.09 103.26 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mtm -55.15 166.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 t -93.93 107.98 19.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -123.39 145.38 48.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.36 -66.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.15 146.55 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -143.7 150.93 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -124.41 160.64 27.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.71 108.92 2.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -151.82 131.41 13.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -90.98 -70.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.37 173.52 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -119.56 163.71 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 mt -119.27 124.2 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 mmm -135.16 159.5 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 38' ' ' VAL . 90.3 mt -122.22 140.52 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -73.21 102.07 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.51 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -139.73 163.17 33.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.05 105.1 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -95.23 115.78 27.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -117.4 73.9 7.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.99 37.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.77 139.31 3.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.21 -27.66 55.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 82.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.565 ' HB2' HD23 ' A' ' 31' ' ' LEU . 8.6 pt20 -102.79 129.1 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mtt -127.82 168.69 14.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.23 -55.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.21 -82.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -69.72 127.63 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.43 -17.54 59.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 pttt 39.71 39.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.82 158.97 53.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -88.27 162.33 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD21 ' O ' ' A' ' 59' ' ' ARG . 81.9 mt -100.76 138.74 37.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 114.61 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 33.2 mt -103.34 158.33 16.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 19.2 tpp85 -125.98 154.54 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.44 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.15 25.91 8.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -96.43 104.51 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 11' ' ' ILE . 99.7 t -72.77 103.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.7 144.89 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.3 ttm -99.91 123.48 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.2 m -105.34 170.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -140.86 136.34 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.29 -177.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 177.02 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.96 -172.59 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -72.1 -26.01 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.37 35.69 3.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -113.74 139.18 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -95.45 160.46 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -107.07 101.25 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -166.68 10.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -152.33 135.93 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -135.37 113.68 11.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 51.84 8.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.59 21.97 51.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -128.39 118.3 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.588 ' O ' HD21 ' A' ' 31' ' ' LEU . 21.8 mtt-85 -96.98 160.99 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.486 ' N ' HD11 ' A' ' 31' ' ' LEU . . . 157.9 175.82 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.39 130.18 35.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.26 156.15 47.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 111.158 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.83 ' HG3' HD12 ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.89 11.49 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -116.35 -25.57 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 63' ' ' PRO . 86.7 mt -85.72 -28.05 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.51 166.9 17.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -137.58 137.21 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -79.56 103.51 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mtm -54.31 154.09 4.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 p -126.86 177.46 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.76 150.89 38.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -97.27 158.09 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.24 -37.98 2.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.935 . . . . . . . . 0 0 . 1 stop_ save_