data_2mhv_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 2mhv _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 73.14 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -113.81 133.12 55.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -103.64 129.93 51.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.25 111.094 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.82 160.6 25.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 73.51 112.455 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.36 142.09 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 73.41 110.888 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.12 165.51 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 151.37 35.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.3 111.137 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -76.73 -23.62 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -47.07 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.855 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -88.52 -15.38 35.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.879 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.4 33.53 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 73.23 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -128.5 136.61 51.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.859 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -96.46 163.52 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 122.89 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -137.44 163.83 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.938 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -104.22 132.54 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.885 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.3 -172.22 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.893 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.68 -14.96 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 73.22 110.849 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.86 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.05 -11.62 66.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 74.12 112.458 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -84.97 155.12 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 74.14 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -88.38 117.76 27.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 51.44 110.848 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -108.88 133.08 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.02 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -114.56 128.93 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.906 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.44 144.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.078 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 148.39 51.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 65.35 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 161.5 23.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.741 . . . . 62.23 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.54 30.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 73.14 112.378 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.21 9.53 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 75.11 110.867 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.62 145.23 36.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.858 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -19.29 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.847 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -70.18 -31.96 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -156.26 124.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.23 110.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.5 175.81 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.858 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 82.6 m -99.09 117.86 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.92 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -99.1 -31.84 11.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.167 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.87 159.39 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.89 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.89 155.76 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.902 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.37 21.08 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.34 110.925 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.37 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 71.12 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 144.63 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.898 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -139.44 177.54 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 144.79 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 71.01 111.104 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -147.29 125.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 75.52 111.145 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.46 132.49 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.903 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -20.63 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.146 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.57 -42.78 33.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 64.15 110.926 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -102.56 -5.12 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.929 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 52.3 29.34 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.73 146.58 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.118 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.8 t -132.88 144.11 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.11 111.145 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.83 117.13 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.832 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.1 t -101.39 136.8 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.874 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.82 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.762 0.315 . . . . 72.11 110.903 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.02 132.69 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.14 123.17 43.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 72.44 111.151 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.55 161.01 24.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.511 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -116.46 145.23 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 74.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 p -124.57 162.78 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.829 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 150.14 30.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 73.45 111.124 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -23.13 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 75.01 110.89 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -46.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -15.0 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.24 110.894 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 48.71 35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.864 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -131.84 139.89 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.61 168.22 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.62 124.27 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -128.62 163.94 23.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.44 118.36 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.869 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -76.94 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.13 -23.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.5 -14.03 61.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.108 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 -17.4 55.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 75.32 112.453 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.23 152.33 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 72.21 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.24 119.34 30.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 73.05 110.925 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -114.83 133.53 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.137 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -111.91 140.41 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 tt -139.14 145.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 71.35 111.139 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 147.31 53.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.889 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.81 161.56 23.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 42.32 110.884 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.0 39.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 2.233 . . . . 75.21 112.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -86.5 9.88 16.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.911 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -76.59 145.4 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 74.53 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -18.23 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.84 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -68.84 -32.89 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.33 124.39 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.45 110.876 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.93 173.32 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.885 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 117.32 33.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -98.32 -31.08 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.172 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 159.11 42.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -74.86 158.45 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 75.23 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.82 18.56 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.77 149.75 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -136.26 177.76 7.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 64.35 110.907 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 140.35 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.41 111.108 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -141.07 125.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 72.14 111.073 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 132.82 51.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.35 110.93 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.1 -17.23 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 63.45 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -82.43 -41.74 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.928 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -103.09 -5.66 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 74.04 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 51.91 34.97 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.908 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.71 147.86 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.07 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.04 142.96 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.2 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.96 123.19 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.3 m -102.75 140.2 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.904 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.851 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.333 . . . . 75.21 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.97 133.06 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 t -107.76 129.42 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.35 111.127 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.59 161.03 26.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.778 -0.725 . . . . 65.3 112.509 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.74 43.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.43 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.96 163.48 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 150.87 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 63.22 111.138 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -76.66 -24.79 53.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.946 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -47.12 11.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.8 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 71.54 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.08 33.41 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.899 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.12 136.05 51.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.851 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.32 165.8 12.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 122.74 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.45 110.826 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -138.66 163.7 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.94 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.875 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 -173.79 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 74.41 110.869 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.16 -37.25 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -9.03 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.24 111.094 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.98 -4.17 81.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 73.34 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -71.2 137.23 48.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 74.32 110.842 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.79 120.84 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.5 m -122.01 124.97 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.15 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.84 129.25 56.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.893 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -132.94 143.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 148.47 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.865 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.8 161.06 25.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 62.32 110.864 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.27 32.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.629 2.219 . . . . 73.44 112.366 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -88.17 9.66 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.921 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.11 146.6 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -18.82 60.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.891 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.43 -32.39 71.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.878 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 124.77 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.915 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.88 177.43 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.887 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.2 m -98.98 119.6 38.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.7 p -96.32 -31.37 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.12 157.5 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.948 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.88 160.42 32.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.88 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.27 19.43 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.885 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.03 142.15 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.23 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.866 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 143.89 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.41 111.139 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -145.9 124.76 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.157 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.71 131.19 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -18.04 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.121 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -40.37 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -102.93 -5.89 23.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.935 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.84 28.54 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.944 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.58 129.37 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.143 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.08 141.84 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 73.03 111.163 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.29 111.95 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 65.23 110.89 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -104.85 133.38 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.871 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.809 0.337 . . . . 73.43 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -136.75 132.78 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.932 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.0 122.33 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.163 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.48 160.91 24.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.492 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -116.45 145.24 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 73.14 110.922 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -127.5 165.59 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.914 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 150.4 35.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.129 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -75.99 -23.1 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -47.03 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.819 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -15.27 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 73.05 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 48.77 34.62 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -129.67 137.02 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 71.51 110.865 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.43 164.91 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.41 110.887 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.23 124.51 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.914 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -140.09 164.12 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 74.05 110.951 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -97.1 123.34 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.3 110.88 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -172.91 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.917 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.86 -37.13 68.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.877 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.61 -11.2 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.095 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.43 -4.67 80.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 73.13 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -72.63 145.27 47.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 73.21 110.875 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.1 119.33 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.845 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -124.96 131.98 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.25 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -111.97 145.95 38.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -145.23 151.66 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.44 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 146.84 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.886 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.29 160.91 24.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 73.03 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 140.88 43.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 71.43 112.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -87.78 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -77.03 146.13 37.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.914 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -18.16 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.855 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -68.73 -32.79 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.22 124.15 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.876 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.26 173.15 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.9 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.11 118.97 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -99.13 -31.97 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.102 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -135.07 163.0 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.99 158.64 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.846 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.29 18.47 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.07 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.08 147.54 44.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 m -135.7 178.3 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.888 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.74 140.34 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 60.42 111.123 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -148.1 127.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.117 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.0 131.69 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -17.6 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.197 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -40.88 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.918 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -103.26 -5.47 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 52.31 27.95 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.43 123.32 43.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 71.2 111.066 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.34 136.45 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.15 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.84 134.14 32.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m -105.74 147.38 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 71.53 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.818 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.76 0.314 . . . . 73.34 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -111.07 132.92 53.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -106.29 129.65 54.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 65.14 111.112 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.42 160.65 26.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 60.25 112.441 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -115.57 144.84 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.53 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 p -123.06 161.92 23.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 75.31 110.913 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.73 150.8 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.03 111.161 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -76.55 -23.39 53.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -83.08 -47.34 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.14 110.879 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -15.23 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 48.71 33.19 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.868 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.5 138.02 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 64.34 110.871 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -96.4 150.46 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.75 124.25 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 65.01 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -140.95 163.85 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -111.32 145.15 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.903 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -173.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 63.41 110.899 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.96 -15.38 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.5 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.66 -4.67 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.45 111.109 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.56 1.17 81.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 74.22 112.463 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -82.66 130.92 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.5 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.73 121.57 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.851 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.5 m -126.29 112.46 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.185 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -111.66 150.83 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -145.25 148.34 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.04 111.173 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 147.21 27.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.54 110.926 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.12 158.13 32.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 75.23 110.878 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.8 68.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.54 112.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -87.83 9.73 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.909 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.57 160.95 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.847 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -72.18 -16.98 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.887 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -67.95 -33.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.87 122.76 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -167.46 169.68 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.877 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -98.76 120.14 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -87.61 -32.0 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.42 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.03 161.99 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.896 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.49 161.03 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.887 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t30 63.88 15.5 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.865 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.54 151.23 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.34 110.864 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.59 177.38 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.73 141.07 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.174 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.04 125.01 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 73.02 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.74 132.61 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.882 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -17.55 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.133 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -40.97 20.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.924 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -103.23 -6.2 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 64.44 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.61 30.26 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.883 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.22 147.61 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -132.91 136.0 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.34 111.16 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.98 116.7 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.861 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -114.34 141.03 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.9 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 72.21 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.17 132.75 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.02 129.71 45.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 75.44 111.166 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.91 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 64.42 112.477 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -116.12 144.0 44.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 72.55 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -124.36 158.78 31.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.9 151.29 23.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 54.42 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -77.68 -24.18 49.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 64.13 110.862 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -83.49 -47.35 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.846 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -15.61 36.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 47.8 39.3 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.54 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -131.89 133.8 45.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -91.97 167.47 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.15 125.07 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.957 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -130.57 164.06 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 72.22 110.914 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -98.48 121.07 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.903 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -77.51 178.8 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.81 -25.13 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.819 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.6 -12.27 60.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 51.05 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 -16.42 58.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 65.44 112.458 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 157.3 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 72.33 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -95.55 119.77 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.87 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -115.8 129.57 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.157 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -111.83 139.86 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.829 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -138.61 143.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 73.25 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 147.48 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.899 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.76 162.66 19.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 74.42 110.898 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.03 34.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 75.4 112.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 9.93 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.891 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -75.94 140.76 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.03 -18.91 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 64.11 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.37 -32.43 71.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.35 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.21 123.08 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.856 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -167.78 177.99 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.905 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.1 119.54 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 p -96.01 -31.36 13.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.182 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.17 153.45 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.936 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.43 156.07 38.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 63.44 110.853 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 64.86 14.01 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.28 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 151.75 50.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.879 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.89 177.81 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.73 141.19 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.131 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.21 124.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.54 111.164 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 131.69 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.877 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 -17.04 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.43 111.138 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -45.39 20.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.92 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -103.78 -3.49 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.12 110.832 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 52.52 33.54 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.8 132.94 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.093 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.68 144.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 62.31 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.24 117.33 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.844 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 m -101.99 135.06 44.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.892 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.846 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.739 0.304 . . . . 75.3 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -121.49 132.85 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.921 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -98.29 129.5 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.02 111.111 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.45 25.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 44.03 112.515 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.68 141.44 48.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 74.34 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -124.34 164.72 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 151.43 35.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.52 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -76.56 -23.42 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.889 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.43 -46.96 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.21 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -88.62 -15.46 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.46 33.9 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 71.31 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.21 138.34 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.847 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.1 166.18 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.99 123.36 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -127.42 164.06 22.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 71.24 110.934 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -106.32 118.67 37.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -77.19 179.74 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.56 -22.97 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 55.2 110.906 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -14.72 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.25 111.106 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.35 -17.59 55.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 73.21 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -72.02 148.68 45.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 75.12 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.87 119.98 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -112.33 130.18 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.119 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -111.89 138.7 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.45 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -140.9 142.74 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 75.13 111.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 149.27 50.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.884 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.41 160.94 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 73.42 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.34 112.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 9.81 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.886 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -76.87 145.56 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -17.91 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.875 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -68.78 -32.8 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.35 124.31 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.937 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.29 170.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.4 110.864 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.73 117.7 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.86 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -32.32 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.03 111.109 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.56 46.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.942 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.74 156.06 39.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.887 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.0 19.28 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.55 110.856 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.22 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 151.05 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.888 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 m -136.78 178.25 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.873 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.6 140.47 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.53 111.103 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.32 124.97 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.082 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.22 131.79 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.799 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -17.38 37.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 72.3 111.172 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -40.73 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.912 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -103.29 -5.86 22.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.25 110.9 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 51.69 30.03 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.86 134.6 48.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.31 111.102 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 m -114.44 144.33 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 75.35 111.167 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.01 124.97 25.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.1 m -102.45 140.66 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 70.03 110.924 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.788 0.328 . . . . 75.51 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -128.9 133.08 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.954 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.92 123.09 41.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.102 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 162.32 25.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.43 112.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.46 146.64 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.2 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -128.74 163.52 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 71.51 110.838 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.74 149.38 26.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 73.51 111.09 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -76.64 -24.38 53.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -47.17 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -86.75 -15.75 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 75.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 48.26 33.71 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.46 130.44 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.89 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.65 161.58 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.4 126.92 23.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -145.83 165.03 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.95 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -97.25 120.57 37.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.22 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.83 169.46 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -26.83 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.9 -13.22 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.109 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 -17.85 54.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 71.43 112.494 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -80.0 145.77 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 74.01 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.84 126.33 30.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.835 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -124.14 150.18 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.118 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -134.14 136.17 43.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.4 110.919 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.97 149.91 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.12 111.159 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 145.3 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.927 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.26 150.68 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 71.12 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.43 38.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 75.23 112.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -88.54 9.38 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -77.9 153.62 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.868 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.49 -17.03 63.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -32.1 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.889 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.02 124.2 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.5 110.883 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -166.57 167.13 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.879 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.0 m -99.43 119.86 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 p -84.39 -31.91 24.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 75.24 111.136 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -150.22 167.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.871 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -84.61 156.76 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.868 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.9 12.6 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 73.45 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.78 -170.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 148.94 50.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.878 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -135.77 177.25 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 62.03 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.03 139.73 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 61.11 111.16 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -148.29 128.91 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 63.1 111.124 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.04 132.3 54.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.897 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -17.82 37.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.125 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -103.2 -5.09 23.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 65.15 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 52.51 28.03 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.911 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.57 123.02 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 65.13 111.125 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.11 137.79 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.144 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -139.38 121.05 15.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.0 m -101.09 139.14 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.876 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 73.5 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.326 . . . . 75.4 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -111.02 132.82 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 124.26 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 72.24 111.111 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.06 161.58 24.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 63.44 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 140.78 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 75.01 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 4.2 p -124.53 165.53 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.904 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.46 151.53 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 70.45 111.096 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.78 -24.09 52.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 p -82.81 -47.13 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -87.75 -15.73 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.14 33.97 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.34 110.847 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.19 135.52 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.855 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 t -96.37 163.61 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.44 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.2 123.93 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.911 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -138.96 164.21 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.45 110.932 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.16 122.2 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 71.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -77.2 -178.74 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.909 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -61.95 -23.72 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.02 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.65 61.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.061 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.0 -17.08 56.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 55.53 112.474 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -74.14 158.63 33.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 74.43 110.872 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.62 129.11 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.885 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 m -123.21 124.74 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 75.53 111.12 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -111.87 126.21 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -130.34 140.03 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 74.34 111.137 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 150.62 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.862 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.57 159.01 30.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 73.24 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.57 40.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 75.13 112.364 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -89.0 12.12 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.86 151.16 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -17.09 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.826 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -67.7 -35.04 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.74 127.62 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.894 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.52 177.6 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.923 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 72.9 m -98.39 116.55 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 71.34 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -100.2 -31.64 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.126 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.65 162.99 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.912 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.08 151.94 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 65.41 110.834 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.01 17.73 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.888 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -59.09 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.863 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.87 139.87 47.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.844 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 p -130.25 177.35 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.878 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.98 143.7 38.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.1 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.3 t -145.65 125.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.71 132.43 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -24.15 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.21 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -45.99 27.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 74.25 110.925 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.31 -6.07 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.98 28.17 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.34 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.79 141.16 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.01 144.04 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.93 116.3 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 54.55 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 4.6 t -103.82 136.05 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.898 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.768 0.318 . . . . 73.44 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -136.86 132.81 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 75.44 110.888 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.18 121.45 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 74.02 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.01 160.75 25.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 54.01 112.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 146.01 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 75.44 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 16.4 p -127.05 165.25 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.874 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.81 151.14 28.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.151 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -76.89 -23.89 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 70.44 110.9 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -83.95 -47.07 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.825 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -15.49 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.36 33.69 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.845 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 4.7 pt-20 -126.42 137.32 53.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.901 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.18 167.31 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 75.13 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -144.3 122.47 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.884 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -141.02 164.07 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -97.16 136.29 37.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -172.14 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.935 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.26 -17.54 58.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 72.15 110.848 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.09 60.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 53.23 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.39 -10.32 69.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 54.41 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -87.74 158.61 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 75.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 129.7 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 71.53 110.897 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -125.56 135.49 52.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.121 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.82 138.97 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.939 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 tt -142.07 138.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 148.86 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.13 110.89 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.53 161.92 21.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 73.2 110.854 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.39 47.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 73.21 112.325 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 9.75 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.867 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.62 146.12 38.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -17.49 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.889 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.75 -33.43 73.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 75.33 110.888 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.63 124.34 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.905 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.5 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.907 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.97 116.36 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.885 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.41 -32.91 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.196 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -121.22 148.54 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.96 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.29 152.21 43.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.03 110.849 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.13 20.89 12.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 150.74 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 m -136.09 177.81 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.09 140.46 34.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.61 125.27 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.154 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.17 133.09 50.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.851 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 -17.79 39.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.164 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.56 -42.08 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.914 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -102.9 -5.38 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.03 34.92 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.55 110.866 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 147.7 28.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.076 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.7 t -126.96 143.93 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.094 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.12 122.44 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.63 137.83 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 53.4 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.21 110.865 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.331 . . . . 61.43 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.0 132.88 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.967 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.98 125.89 44.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 73.23 111.137 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.26 160.82 25.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 72.25 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 145.18 42.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 63.23 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.31 158.35 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.05 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.61 149.98 23.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.14 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -77.1 -24.56 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.895 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -47.1 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.871 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.18 -15.23 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.861 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.52 32.59 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.895 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -124.11 137.15 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.93 166.09 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 127.27 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.3 110.891 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -145.34 164.12 32.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -97.14 126.71 42.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 74.4 110.936 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.52 -172.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.867 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.87 -37.14 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.848 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.03 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.12 111.091 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.41 -4.52 81.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 62.43 112.487 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -71.83 135.77 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 73.31 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.48 122.29 18.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.909 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -125.47 132.15 52.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.101 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -111.87 127.96 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -130.25 150.88 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 75.32 111.136 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.85 44.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 70.34 110.878 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.32 162.18 21.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 71.12 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.67 28.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.722 2.281 . . . . 74.22 112.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -87.34 9.71 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 72.54 110.924 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -76.98 148.35 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.09 -18.52 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.51 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -69.2 -32.76 72.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 70.55 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.26 124.72 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.895 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.12 177.99 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.872 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 118.41 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.886 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -96.73 -31.7 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.1 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -137.61 150.01 47.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -64.36 158.21 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.82 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t30 63.73 16.52 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 64.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.5 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 148.67 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -142.86 178.16 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 70.11 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.02 141.07 40.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.131 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.18 124.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.133 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 131.32 54.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.45 110.893 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.83 -17.65 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.1 111.133 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -40.72 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.02 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.14 -5.91 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.842 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m120 51.73 29.48 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.88 131.59 53.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.13 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 m -113.5 144.53 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.096 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.44 121.86 20.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 75.01 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 148.36 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.881 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.87 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.78 0.324 . . . . 73.5 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -118.32 133.1 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.21 122.83 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 75.2 111.111 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.3 160.8 24.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 73.51 112.485 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.09 44.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 74.22 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.61 166.16 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.856 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 150.96 36.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.52 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.89 -23.06 52.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.907 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.23 -46.86 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 72.3 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -89.57 -14.82 34.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 33.02 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -126.08 137.37 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 70.03 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -98.0 162.78 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.834 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -143.1 122.22 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.55 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -136.1 163.47 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.935 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.55 130.24 53.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.908 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -78.17 173.22 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.34 -22.84 54.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.861 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -8.84 57.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.1 -17.33 56.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.459 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 151.82 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 71.43 110.935 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.14 120.85 37.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -118.89 135.28 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.151 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.36 135.79 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.889 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -137.89 140.96 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 72.35 111.107 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 150.2 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.884 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.0 158.21 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 74.31 110.894 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 144.59 54.77 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 74.22 112.373 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 8.76 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.928 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -77.96 145.89 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.833 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.44 -18.66 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.01 110.835 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.54 -31.5 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.66 124.18 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.2 110.893 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -165.86 177.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.889 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.2 m -106.83 118.58 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.918 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -97.82 -32.39 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.13 111.175 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 161.2 36.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.853 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -75.34 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 21.67 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.949 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 71.43 110.908 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 146.1 39.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.886 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.76 178.47 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.6 141.13 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 111.15 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.7 t -137.78 124.72 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.02 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -113.92 130.75 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.892 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -18.36 31.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 65.31 111.124 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.922 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -102.95 -5.96 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 73.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 51.6 29.34 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.76 135.07 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 70.44 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.25 144.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.126 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 116.94 20.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 t -101.33 134.25 44.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 74.34 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.858 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.353 . . . . 71.32 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -116.95 132.68 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -98.96 129.51 45.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.52 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 162.17 26.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 75.12 112.485 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.04 143.76 45.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 74.21 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.11 159.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.24 110.866 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 143.42 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.184 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -75.83 -22.48 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 74.04 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 -50.3 66.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -105.23 -2.77 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.42 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 50.09 34.31 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -115.74 146.23 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 t -108.16 155.98 19.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 129.69 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.861 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -148.33 164.26 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.949 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -97.1 141.45 30.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -95.82 -176.93 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -25.29 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.87 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.69 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.076 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.26 -17.34 56.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 73.22 112.468 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -73.59 151.39 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.22 128.72 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.871 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -123.87 129.18 50.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.55 111.123 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.9 132.12 54.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -133.3 137.1 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 73.43 111.09 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 151.16 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 74.55 110.897 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.09 161.14 24.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 74.45 110.949 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.96 34.32 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.71 2.274 . . . . 71.24 112.362 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -85.56 8.54 18.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.874 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -78.0 144.86 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -17.72 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.919 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -31.6 70.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -155.86 124.34 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.889 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -166.41 174.0 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.868 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.14 118.96 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.8 p -96.86 -30.44 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 75.51 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -129.84 146.27 51.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.89 154.39 41.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.921 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.82 17.63 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.91 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.16 -171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 147.81 50.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -141.97 177.12 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.854 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.58 144.89 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.33 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -143.8 125.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -115.72 132.25 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 62.15 110.852 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -18.44 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.133 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -41.54 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.905 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -102.94 -5.8 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 51.7 30.16 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.96 147.61 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.44 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.99 143.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.32 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.96 130.38 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 63.22 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.44 ' HA ' ' HB3' ' A' ' 43' ' ' CYS . 5.3 m -117.35 132.33 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.924 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.909 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.806 0.336 . . . . 65.33 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -131.37 132.91 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.79 120.09 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.14 111.17 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HD2' ' A' ' 42' ' ' LYS . . . -139.09 158.34 25.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 42.04 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -113.74 147.42 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 72.52 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.78 166.02 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 74.15 110.867 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.75 148.73 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -77.21 -22.68 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -77.74 -47.17 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.851 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -12.71 28.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 49.89 34.02 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -127.38 141.45 51.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.855 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -99.81 162.05 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.12 122.98 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.898 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -133.97 163.96 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -109.62 124.39 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.903 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -77.45 176.54 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -57.67 -23.83 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 71.33 110.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.1 -14.32 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.24 111.101 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.13 -13.77 63.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 65.3 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -69.79 150.16 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.44 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -91.02 120.74 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.905 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -118.99 127.58 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 75.03 111.092 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -112.01 130.06 55.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.78 144.26 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 64.31 111.132 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 149.06 50.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.929 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.85 161.62 23.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.592 0.71 . . . . 73.12 110.868 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 134.2 27.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 64.11 112.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.37 9.52 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.885 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.65 145.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.5 -19.3 56.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -70.43 -31.9 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.62 125.23 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.11 173.95 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.925 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 74.2 m -99.0 116.99 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 45.45 110.866 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -99.82 -31.87 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -124.35 152.78 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.862 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -75.11 153.39 38.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.88 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 t30 65.55 14.2 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.816 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.9 m-20 -55.47 179.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 71.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -125.2 135.61 52.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.913 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 p -130.47 177.58 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.41 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.5 142.64 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 63.13 111.134 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -148.04 125.55 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.108 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.42 131.19 54.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 71.51 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -18.92 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 64.23 111.153 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -83.69 -40.17 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.928 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.08 -5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.02 110.892 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 52.2 27.63 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.15 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.31 123.41 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 p -122.41 140.75 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.34 111.087 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.51 120.4 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.809 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 3.0 t -101.11 132.11 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 64.13 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.793 0.33 . . . . 75.24 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.06 132.77 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 74.33 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.66 122.67 41.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.31 111.186 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.42 161.67 25.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 51.42 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -115.05 137.35 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 73.32 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.03 163.66 20.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.13 110.896 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.45 147.51 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.12 111.139 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -76.01 -22.24 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -84.2 -47.12 11.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.894 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -89.41 -15.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 48.35 44.1 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 64.02 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -135.05 127.51 30.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.74 162.92 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 124.26 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -143.57 164.3 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.882 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -76.53 -171.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.31 -37.02 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.871 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.51 111.08 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.38 -2.82 84.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 65.21 112.494 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -77.54 133.31 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 75.43 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 121.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.858 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -125.51 135.37 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.136 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.96 131.56 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.23 143.88 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 74.2 111.148 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 147.05 53.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.909 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.05 158.61 31.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 74.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 137.99 36.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.68 2.253 . . . . 71.42 112.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.94 8.84 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.844 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -78.27 146.78 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 74.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -19.06 48.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.896 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.67 -31.62 68.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 70.34 110.864 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.92 125.24 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -167.19 179.22 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.858 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.11 119.9 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.854 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -96.63 -13.08 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.144 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.77 166.0 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 7.2 p-10 -94.56 140.08 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.86 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.01 4.34 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 70.43 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -58.21 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 151.13 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.864 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.6 177.68 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.864 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.98 140.93 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.169 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -143.88 125.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.23 111.125 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -117.96 132.53 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.55 27.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 72.25 111.154 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -45.48 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -98.17 -5.12 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.32 110.94 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 52.3 28.88 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.7 142.96 32.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 61.05 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -132.89 143.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 73.11 111.135 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.15 115.98 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.875 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.68 137.68 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.857 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 75.51 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -115.01 132.91 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.72 120.4 40.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 74.44 111.111 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 161.0 25.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 74.21 112.473 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 146.89 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 74.52 110.917 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 p -124.19 165.33 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.879 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.85 150.45 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 65.33 111.131 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -76.93 -23.36 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -82.49 -47.3 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -14.43 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.02 110.937 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 48.75 33.04 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.895 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.0 142.44 51.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.38 166.91 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 122.73 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -142.15 163.94 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -96.86 141.07 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.946 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -95.98 -172.08 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.905 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -56.62 -34.99 67.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.866 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.88 -11.94 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.05 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.87 -5.67 78.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 62.1 112.5 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -75.45 148.95 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 75.43 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.69 121.69 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 53.45 110.936 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -121.98 127.94 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.183 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -111.98 150.29 30.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -152.29 147.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.119 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 148.12 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.901 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.79 160.03 27.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 62.42 110.868 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.38 65.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 74.51 112.367 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 9.64 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.51 161.22 28.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.33 -17.23 61.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 65.32 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -68.04 -33.44 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.909 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -157.93 123.42 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.2 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -167.02 169.1 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.874 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -98.67 118.51 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.5 -17.69 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.155 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.0 148.25 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.848 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.48 157.25 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.859 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.58 17.35 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -170.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.905 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.43 152.22 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.896 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.24 178.24 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.53 140.51 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.114 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.16 124.7 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.23 130.62 56.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 54.2 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.78 -18.02 32.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 73.21 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.42 -41.08 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.23 110.925 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -102.97 -6.07 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 73.33 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.52 29.42 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.919 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.58 131.9 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 62.03 111.083 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.6 m -116.92 141.78 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.144 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.1 115.84 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.901 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 p -112.57 141.97 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.875 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.806 0.336 . . . . 74.11 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.08 133.12 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.916 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.99 124.83 50.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.121 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.4 161.53 25.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 62.02 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 143.31 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 75.24 110.911 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.74 165.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.846 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.31 150.77 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.21 111.15 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.1 -23.56 51.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -83.34 -47.42 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.32 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -15.25 36.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 73.25 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 48.2 34.01 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.913 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -126.81 133.39 50.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.7 161.55 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.22 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -139.41 122.63 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.891 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -141.28 163.67 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.2 110.93 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -101.72 126.51 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 64.52 110.922 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.42 179.48 5.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.871 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.82 -36.8 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.828 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.57 -12.98 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.123 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.82 -17.73 53.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 71.32 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.98 133.09 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 75.45 110.906 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.56 123.03 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 61.24 110.889 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -125.67 133.17 52.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.166 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -116.58 132.44 56.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.04 142.56 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 72.4 111.151 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 148.9 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.926 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.23 161.52 23.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 64.51 110.945 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.38 50.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 75.32 112.354 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 8.52 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -78.56 150.86 32.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 63.22 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -18.88 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.44 -31.81 67.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.9 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.27 125.72 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.899 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -166.56 168.95 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 74.5 110.928 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 90.9 m -98.49 116.72 31.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.909 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 p -100.1 -32.3 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.4 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.1 ttmt -122.15 146.71 46.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.51 110.896 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.33 150.97 43.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.868 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.44 18.58 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.899 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 2.0 m-20 -58.62 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.882 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 143.13 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.928 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -135.31 177.38 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.2 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.33 144.47 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.174 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.86 124.82 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.159 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.16 130.95 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -17.07 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 73.21 111.138 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.69 -40.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 71.53 110.941 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.35 -5.63 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 71.11 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 52.47 26.07 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.25 125.24 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.042 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.44 140.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.42 111.151 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.3 127.44 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t -104.55 112.79 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.907 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.841 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 70.12 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -123.26 133.15 54.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.895 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.05 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 72.33 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.0 160.99 24.8 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 54.04 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -116.38 145.3 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 74.23 110.847 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 p -125.71 165.56 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.908 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.13 148.33 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 72.21 111.169 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -76.47 -23.66 53.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.924 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -47.08 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.01 110.876 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -88.46 -14.46 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 48.75 33.33 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.46 136.44 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.01 160.73 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 65.21 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -140.95 122.91 15.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -140.03 163.59 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -108.13 127.71 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 74.02 110.879 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -77.51 176.57 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.51 110.899 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -57.76 -24.14 55.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.875 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.73 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 52.11 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.05 -17.07 57.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.87 154.31 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 72.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.23 121.63 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 111.63 15.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.5 111.128 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -112.02 142.18 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -140.06 151.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 147.89 36.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.833 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.52 156.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.52 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.17 67.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.42 112.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -89.03 9.76 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 71.45 110.89 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.47 161.44 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -17.47 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 70.31 110.89 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -68.35 -33.36 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.62 123.63 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.877 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.12 169.64 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.912 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -98.43 118.7 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.14 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.2 -18.45 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.132 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 150.33 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.34 110.893 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASN . 7.6 p30 -65.09 167.64 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.899 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' ASP . 2.6 p-10 47.75 26.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.32 110.853 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.44 -169.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.898 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 151.07 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.45 110.937 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.1 178.1 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 75.13 110.887 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 140.38 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 64.41 111.112 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -141.04 125.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.135 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 132.56 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.852 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -17.78 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 75.33 111.164 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -82.19 -41.24 20.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -103.16 -6.04 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.61 30.34 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.863 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.8 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 71.24 111.116 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 133.91 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.9 115.92 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.825 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 p -113.53 141.68 46.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.879 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 74.35 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -116.17 132.79 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.929 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.2 123.26 45.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 73.1 111.157 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.46 160.54 23.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 72.51 112.491 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 146.49 42.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 73.21 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 14.2 p -124.59 160.23 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.9 t -103.64 155.71 18.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 55.41 111.166 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -85.02 -22.34 29.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -81.38 -49.78 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -13.55 29.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' THR . 49.3 t-20 49.44 41.89 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.892 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 5.3 pt-20 -127.61 134.3 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.11 168.24 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.851 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 126.18 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -130.97 163.98 26.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.907 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -101.92 118.05 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -76.87 173.99 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -23.92 53.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.881 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.46 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.116 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.18 -17.26 56.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 63.34 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -72.68 150.8 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.4 110.9 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.76 123.21 33.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.824 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -118.29 127.11 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.097 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -111.83 139.18 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -140.75 144.3 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.34 111.178 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 147.78 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.94 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.85 160.73 25.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 71.33 110.889 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.9 66.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.241 . . . . 74.42 112.344 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -90.47 14.38 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.64 143.01 48.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.881 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -18.1 65.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.892 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -67.85 -32.82 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 127.69 5.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.952 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.02 178.7 6.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 75.41 110.953 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.51 118.67 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.894 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -96.04 -31.22 13.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.157 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.2 152.98 46.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.922 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -66.23 155.69 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 71.44 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.48 18.07 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.2 110.866 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.63 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 150.14 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.917 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -145.27 177.51 8.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.12 140.88 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 75.02 111.188 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.83 125.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.45 111.159 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 132.78 56.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.161 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -42.66 32.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.961 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -102.82 -5.3 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 63.15 110.847 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.13 29.92 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.45 146.25 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.06 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.2 t -132.89 139.0 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.137 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.13 120.66 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.889 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.6 m -101.65 140.5 35.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.895 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.35 . . . . 71.25 110.843 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -124.55 133.03 53.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.5 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -101.12 129.81 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.03 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.73 160.86 25.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 70.42 112.493 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -116.42 146.64 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 74.52 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.38 165.58 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 62.54 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 149.71 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 65.42 111.126 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -23.86 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.925 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -47.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -15.17 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.899 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 48.62 33.32 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.827 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -127.13 137.61 53.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.22 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -97.44 164.45 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.28 125.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -138.06 164.04 30.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.24 122.2 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 75.24 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.43 179.38 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.74 -36.7 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.845 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.71 -13.34 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 64.22 111.123 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 -17.65 53.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.472 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -63.86 149.52 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.321 . . . . 75.24 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.71 122.82 27.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 73.04 110.894 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 m -118.9 127.15 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 64.23 111.106 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -111.89 126.29 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -130.01 133.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 149.01 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 73.41 110.923 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 m -100.17 158.98 31.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 71.43 110.85 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.35 50.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.649 2.233 . . . . 73.51 112.361 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -87.49 9.73 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 65.12 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -76.9 146.32 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.53 -18.49 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -69.17 -32.54 71.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.868 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.03 124.4 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.38 177.47 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.888 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -98.75 118.07 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.12 110.854 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -97.36 -27.5 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.22 111.126 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 165.26 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.24 110.904 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -77.02 160.11 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.63 18.94 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.02 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.929 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 145.42 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.04 110.861 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.68 178.32 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 53.53 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.44 140.83 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 61.43 111.123 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -140.88 124.93 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.42 111.135 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.42 131.27 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.24 110.849 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -17.87 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.139 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.96 -40.79 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.924 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -103.12 -5.89 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 65.4 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.71 29.55 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.77 127.54 53.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.136 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.1 m -112.83 144.21 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.085 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.4 124.49 27.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.87 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.48 140.61 36.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.867 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 72.52 111.088 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 115.93 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.891 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -113.81 133.12 55.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -103.64 129.93 51.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.25 111.094 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.82 160.6 25.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 73.51 112.455 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.36 142.09 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 73.41 110.888 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.12 165.51 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 151.37 35.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.3 111.137 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -76.73 -23.62 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -47.07 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.855 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -88.52 -15.38 35.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.879 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.4 33.53 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 73.23 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -128.5 136.61 51.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.859 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -96.46 163.52 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 122.89 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -137.44 163.83 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.938 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -104.22 132.54 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.885 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.3 -172.22 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.893 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.68 -14.96 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 73.22 110.849 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.86 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.05 -11.62 66.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 74.12 112.458 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -84.97 155.12 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 74.14 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -88.38 117.76 27.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 51.44 110.848 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -108.88 133.08 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.02 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -114.56 128.93 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.906 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.44 144.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.078 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 148.39 51.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 65.35 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 161.5 23.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.741 . . . . 62.23 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.54 30.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 73.14 112.378 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.21 9.53 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 75.11 110.867 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.62 145.23 36.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.858 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -19.29 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.847 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -70.18 -31.96 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -156.26 124.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.23 110.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.5 175.81 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.858 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 82.6 m -99.09 117.86 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.92 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -99.1 -31.84 11.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.167 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.87 159.39 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.89 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.89 155.76 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.902 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.37 21.08 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.34 110.925 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.37 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 71.12 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 144.63 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.898 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -139.44 177.54 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 144.79 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 71.01 111.104 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -147.29 125.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 75.52 111.145 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.46 132.49 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.903 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -20.63 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.146 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.57 -42.78 33.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 64.15 110.926 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -102.56 -5.12 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.929 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 52.3 29.34 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.73 146.58 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.118 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.8 t -132.88 144.11 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.11 111.145 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.83 117.13 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.832 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.1 t -101.39 136.8 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.874 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.82 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.868 0.366 . . . . 73.12 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 158.75 25.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.02 132.69 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.14 123.17 43.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 72.44 111.151 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.55 161.01 24.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.511 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -116.46 145.23 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 74.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 p -124.57 162.78 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.829 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 150.14 30.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 73.45 111.124 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -23.13 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 75.01 110.89 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -46.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -15.0 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.24 110.894 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 48.71 35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.864 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -131.84 139.89 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.61 168.22 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.62 124.27 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -128.62 163.94 23.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.44 118.36 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.869 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -76.94 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.13 -23.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.5 -14.03 61.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.108 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 -17.4 55.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 75.32 112.453 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.23 152.33 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 72.21 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.24 119.34 30.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 73.05 110.925 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -114.83 133.53 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.137 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -111.91 140.41 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 tt -139.14 145.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 71.35 111.139 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 147.31 53.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.889 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.81 161.56 23.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 42.32 110.884 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.0 39.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 2.233 . . . . 75.21 112.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -86.5 9.88 16.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.911 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -76.59 145.4 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 74.53 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -18.23 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.84 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -68.84 -32.89 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.33 124.39 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.45 110.876 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.93 173.32 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.885 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 117.32 33.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -98.32 -31.08 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.172 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 159.11 42.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -74.86 158.45 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 75.23 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.82 18.56 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.77 149.75 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -136.26 177.76 7.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 64.35 110.907 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 140.35 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.41 111.108 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -141.07 125.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 72.14 111.073 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 132.82 51.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.35 110.93 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.1 -17.23 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 63.45 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -82.43 -41.74 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.928 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -103.09 -5.66 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 74.04 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 51.91 34.97 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.908 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.71 147.86 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.07 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.04 142.96 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.2 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.96 123.19 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.3 m -102.75 140.2 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.904 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.851 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.844 0.354 . . . . 72.14 111.098 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.46 118.15 36.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.859 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.97 133.06 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 t -107.76 129.42 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.35 111.127 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.59 161.03 26.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.778 -0.725 . . . . 65.3 112.509 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.74 43.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.43 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.96 163.48 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 150.87 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 63.22 111.138 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -76.66 -24.79 53.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.946 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -47.12 11.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.8 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 71.54 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.08 33.41 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.899 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.12 136.05 51.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.851 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.32 165.8 12.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 122.74 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 74.45 110.826 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -138.66 163.7 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.94 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.875 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 -173.79 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 74.41 110.869 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.16 -37.25 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -9.03 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.24 111.094 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.98 -4.17 81.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 73.34 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -71.2 137.23 48.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 74.32 110.842 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.79 120.84 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.5 m -122.01 124.97 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.15 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.84 129.25 56.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.893 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -132.94 143.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 148.47 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.865 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.8 161.06 25.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 62.32 110.864 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.27 32.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.629 2.219 . . . . 73.44 112.366 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -88.17 9.66 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.921 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.11 146.6 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -18.82 60.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.891 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.43 -32.39 71.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.878 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 124.77 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.915 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.88 177.43 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.887 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.2 m -98.98 119.6 38.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.7 p -96.32 -31.37 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.12 157.5 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.948 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.88 160.42 32.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.88 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.27 19.43 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.885 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.03 142.15 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.23 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.866 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 143.89 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.41 111.139 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -145.9 124.76 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.157 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.71 131.19 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -18.04 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.121 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -40.37 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -102.93 -5.89 23.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.935 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.84 28.54 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.944 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.58 129.37 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.143 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.08 141.84 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 73.03 111.163 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.29 111.95 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 65.23 110.89 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -104.85 133.38 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.871 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.879 0.371 . . . . 73.25 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -96.5 160.23 14.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -136.75 132.78 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.932 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.0 122.33 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.163 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.48 160.91 24.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.492 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -116.45 145.24 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 73.14 110.922 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -127.5 165.59 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.914 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 150.4 35.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.129 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -75.99 -23.1 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -47.03 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.819 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -15.27 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 73.05 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 48.77 34.62 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -129.67 137.02 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 71.51 110.865 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.43 164.91 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.41 110.887 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.23 124.51 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.914 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -140.09 164.12 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 74.05 110.951 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -97.1 123.34 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.3 110.88 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -172.91 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.917 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.86 -37.13 68.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.877 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.61 -11.2 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.095 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.43 -4.67 80.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 73.13 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -72.63 145.27 47.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 73.21 110.875 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.1 119.33 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.845 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -124.96 131.98 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.25 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -111.97 145.95 38.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -145.23 151.66 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.44 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 146.84 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.886 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.29 160.91 24.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 73.03 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 140.88 43.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 71.43 112.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -87.78 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -77.03 146.13 37.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.914 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -18.16 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.855 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -68.73 -32.79 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.22 124.15 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.876 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.26 173.15 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.9 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.11 118.97 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -99.13 -31.97 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.102 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -135.07 163.0 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.99 158.64 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.846 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.29 18.47 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.07 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.08 147.54 44.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 m -135.7 178.3 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.888 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.74 140.34 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 60.42 111.123 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -148.1 127.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.117 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.0 131.69 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -17.6 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.197 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -40.88 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.918 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -103.26 -5.47 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 52.31 27.95 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.43 123.32 43.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 71.2 111.066 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.34 136.45 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.15 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.84 134.14 32.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m -105.74 147.38 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 71.53 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.818 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 43.11 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -96.25 119.04 34.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -111.07 132.92 53.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -106.29 129.65 54.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 65.14 111.112 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.42 160.65 26.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 60.25 112.441 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -115.57 144.84 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.53 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 p -123.06 161.92 23.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 75.31 110.913 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.73 150.8 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.03 111.161 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -76.55 -23.39 53.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -83.08 -47.34 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.14 110.879 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -15.23 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 48.71 33.19 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.868 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.5 138.02 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 64.34 110.871 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -96.4 150.46 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.75 124.25 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 65.01 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -140.95 163.85 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -111.32 145.15 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.903 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -173.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 63.41 110.899 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.96 -15.38 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.5 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.66 -4.67 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.45 111.109 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.56 1.17 81.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 74.22 112.463 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -82.66 130.92 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.5 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.73 121.57 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.851 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.5 m -126.29 112.46 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.185 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -111.66 150.83 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -145.25 148.34 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.04 111.173 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 147.21 27.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.54 110.926 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.12 158.13 32.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 75.23 110.878 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.8 68.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.54 112.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -87.83 9.73 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.909 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.57 160.95 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.847 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -72.18 -16.98 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.887 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -67.95 -33.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.87 122.76 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -167.46 169.68 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.877 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -98.76 120.14 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -87.61 -32.0 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.42 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.03 161.99 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.896 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.49 161.03 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.887 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t30 63.88 15.5 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.865 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.54 151.23 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.34 110.864 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.59 177.38 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.73 141.07 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.174 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.04 125.01 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 73.02 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.74 132.61 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.882 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -17.55 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.133 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -40.97 20.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.924 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -103.23 -6.2 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 64.44 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.61 30.26 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.883 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.22 147.61 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -132.91 136.0 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.34 111.16 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.98 116.7 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.861 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -114.34 141.03 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.9 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.351 . . . . 74.0 111.112 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.47 116.24 22.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.887 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.17 132.75 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.02 129.71 45.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 75.44 111.166 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.91 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 64.42 112.477 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -116.12 144.0 44.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 72.55 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -124.36 158.78 31.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.9 151.29 23.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 54.42 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -77.68 -24.18 49.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 64.13 110.862 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -83.49 -47.35 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.846 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -15.61 36.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 47.8 39.3 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.54 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -131.89 133.8 45.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -91.97 167.47 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.15 125.07 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.957 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -130.57 164.06 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 72.22 110.914 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -98.48 121.07 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.903 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -77.51 178.8 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.81 -25.13 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.819 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.6 -12.27 60.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 51.05 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 -16.42 58.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 65.44 112.458 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 157.3 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 72.33 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -95.55 119.77 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.87 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -115.8 129.57 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.157 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -111.83 139.86 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.829 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -138.61 143.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 73.25 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 147.48 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.899 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.76 162.66 19.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 74.42 110.898 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.03 34.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 75.4 112.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 9.93 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.891 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -75.94 140.76 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.03 -18.91 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 64.11 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.37 -32.43 71.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.35 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.21 123.08 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.856 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -167.78 177.99 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.905 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.1 119.54 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 p -96.01 -31.36 13.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.182 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.17 153.45 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.936 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.43 156.07 38.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 63.44 110.853 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 64.86 14.01 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.28 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 151.75 50.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.879 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.89 177.81 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.73 141.19 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.131 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -140.21 124.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.54 111.164 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 131.69 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.877 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 -17.04 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.43 111.138 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -45.39 20.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.92 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -103.78 -3.49 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.12 110.832 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 52.52 33.54 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.8 132.94 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.093 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.68 144.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 62.31 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.24 117.33 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.844 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 m -101.99 135.06 44.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.892 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.846 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.555 ' N ' ' HG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 65.43 111.079 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.09 136.05 53.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.884 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -121.49 132.85 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.921 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -98.29 129.5 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.02 111.111 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.45 25.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 44.03 112.515 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.68 141.44 48.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 74.34 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -124.34 164.72 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.23 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 151.43 35.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 73.52 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -76.56 -23.42 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.889 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.43 -46.96 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.21 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -88.62 -15.46 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.46 33.9 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 71.31 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.21 138.34 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.847 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.1 166.18 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.99 123.36 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -127.42 164.06 22.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 71.24 110.934 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -106.32 118.67 37.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -77.19 179.74 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.56 -22.97 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 55.2 110.906 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -14.72 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.25 111.106 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.35 -17.59 55.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 73.21 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -72.02 148.68 45.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 75.12 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.87 119.98 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -112.33 130.18 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.119 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -111.89 138.7 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.45 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -140.9 142.74 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 75.13 111.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 149.27 50.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.884 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.41 160.94 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 73.42 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.34 112.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 9.81 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.886 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -76.87 145.56 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -17.91 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.875 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -68.78 -32.8 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.35 124.31 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.937 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.29 170.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.4 110.864 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.73 117.7 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.86 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -32.32 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.03 111.109 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.56 46.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.942 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.74 156.06 39.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.887 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.0 19.28 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.55 110.856 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.22 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 151.05 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.888 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 m -136.78 178.25 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.873 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.6 140.47 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.53 111.103 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.32 124.97 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.082 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.22 131.79 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.799 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.555 ' HG1' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -85.32 -17.38 37.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 72.3 111.172 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -40.73 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.912 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -103.29 -5.86 22.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.25 110.9 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 51.69 30.03 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.86 134.6 48.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.31 111.102 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 m -114.44 144.33 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 75.35 111.167 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.01 124.97 25.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.1 m -102.45 140.66 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 70.03 110.924 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 73.02 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -96.32 143.96 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -128.9 133.08 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.954 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.92 123.09 41.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.102 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 162.32 25.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.43 112.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.46 146.64 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.2 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -128.74 163.52 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 71.51 110.838 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.74 149.38 26.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 73.51 111.09 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -76.64 -24.38 53.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -47.17 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -86.75 -15.75 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 75.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 48.26 33.71 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.46 130.44 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.89 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.65 161.58 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.4 126.92 23.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -145.83 165.03 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.95 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -97.25 120.57 37.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.22 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.83 169.46 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -26.83 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.9 -13.22 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.109 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 -17.85 54.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 71.43 112.494 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -80.0 145.77 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 74.01 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.84 126.33 30.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.835 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -124.14 150.18 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.118 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -134.14 136.17 43.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.4 110.919 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.97 149.91 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.12 111.159 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 145.3 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.927 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.26 150.68 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 71.12 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.43 38.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 75.23 112.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -88.54 9.38 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -77.9 153.62 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.868 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.49 -17.03 63.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -32.1 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.889 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.02 124.2 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.5 110.883 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -166.57 167.13 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.879 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.0 m -99.43 119.86 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 p -84.39 -31.91 24.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 75.24 111.136 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -150.22 167.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.871 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -84.61 156.76 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.868 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.9 12.6 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 73.45 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.78 -170.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 148.94 50.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.878 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -135.77 177.25 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 62.03 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.03 139.73 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 61.11 111.16 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -148.29 128.91 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 63.1 111.124 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.04 132.3 54.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.897 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -17.82 37.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.125 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -103.2 -5.09 23.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 65.15 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 52.51 28.03 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.911 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.57 123.02 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 65.13 111.125 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.11 137.79 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.144 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -139.38 121.05 15.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.0 m -101.09 139.14 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.876 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 73.5 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.836 0.35 . . . . 74.03 111.102 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.14 121.08 37.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -111.02 132.82 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 124.26 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 72.24 111.111 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.06 161.58 24.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 63.44 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 140.78 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 75.01 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 4.2 p -124.53 165.53 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.904 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.46 151.53 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 70.45 111.096 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.78 -24.09 52.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 p -82.81 -47.13 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -87.75 -15.73 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.14 33.97 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.34 110.847 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.19 135.52 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.855 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 t -96.37 163.61 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.44 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.2 123.93 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.911 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -138.96 164.21 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.45 110.932 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.16 122.2 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 71.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -77.2 -178.74 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.909 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -61.95 -23.72 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.02 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.65 61.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.061 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.0 -17.08 56.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 55.53 112.474 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -74.14 158.63 33.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 74.43 110.872 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.62 129.11 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.885 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 m -123.21 124.74 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 75.53 111.12 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -111.87 126.21 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -130.34 140.03 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 74.34 111.137 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 150.62 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.862 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.57 159.01 30.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 73.24 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.57 40.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 75.13 112.364 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -89.0 12.12 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.86 151.16 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -17.09 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.826 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -67.7 -35.04 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.74 127.62 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.894 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.52 177.6 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.923 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 72.9 m -98.39 116.55 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 71.34 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -100.2 -31.64 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.126 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.65 162.99 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.912 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.08 151.94 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 65.41 110.834 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.01 17.73 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.888 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -59.09 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.863 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.87 139.87 47.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.844 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 p -130.25 177.35 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.878 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.98 143.7 38.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.1 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.3 t -145.65 125.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.71 132.43 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -24.15 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.21 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -45.99 27.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 74.25 110.925 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.31 -6.07 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.98 28.17 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.34 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.79 141.16 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.01 144.04 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.93 116.3 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 54.55 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 4.6 t -103.82 136.05 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.898 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.815 0.34 . . . . 54.12 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 160.01 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.963 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -136.86 132.81 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 75.44 110.888 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.18 121.45 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 74.02 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.01 160.75 25.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 54.01 112.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 146.01 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 75.44 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 16.4 p -127.05 165.25 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.874 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.81 151.14 28.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.151 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -76.89 -23.89 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 70.44 110.9 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -83.95 -47.07 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.825 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -15.49 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.36 33.69 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.845 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 4.7 pt-20 -126.42 137.32 53.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.901 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.18 167.31 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 75.13 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -144.3 122.47 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.884 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -141.02 164.07 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -97.16 136.29 37.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -172.14 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.935 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.26 -17.54 58.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 72.15 110.848 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.09 60.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 53.23 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.39 -10.32 69.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 54.41 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -87.74 158.61 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 75.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 129.7 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 71.53 110.897 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -125.56 135.49 52.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.121 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.82 138.97 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.939 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 tt -142.07 138.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 148.86 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.13 110.89 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.53 161.92 21.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 73.2 110.854 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.39 47.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 73.21 112.325 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 9.75 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.867 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.62 146.12 38.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -17.49 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.889 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.75 -33.43 73.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 75.33 110.888 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.63 124.34 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.905 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.5 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.907 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.97 116.36 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.885 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.41 -32.91 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.196 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -121.22 148.54 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.96 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.29 152.21 43.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.03 110.849 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.13 20.89 12.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 150.74 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 m -136.09 177.81 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.09 140.46 34.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.12 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.61 125.27 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.154 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.17 133.09 50.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.851 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 -17.79 39.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.164 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.56 -42.08 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.914 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -102.9 -5.38 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.03 34.92 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.55 110.866 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 147.7 28.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.076 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.7 t -126.96 143.93 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.094 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.12 122.44 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.63 137.83 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 53.4 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.21 110.865 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.362 . . . . 64.02 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.13 118.13 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.924 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.0 132.88 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.967 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.98 125.89 44.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 73.23 111.137 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.26 160.82 25.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 72.25 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 145.18 42.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 63.23 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.31 158.35 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.05 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.61 149.98 23.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.14 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -77.1 -24.56 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.895 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -47.1 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.871 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.18 -15.23 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.861 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.52 32.59 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.895 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -124.11 137.15 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.93 166.09 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 127.27 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.3 110.891 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -145.34 164.12 32.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -97.14 126.71 42.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 74.4 110.936 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.52 -172.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.867 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.87 -37.14 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.848 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.03 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.12 111.091 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.41 -4.52 81.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 62.43 112.487 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -71.83 135.77 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 73.31 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.48 122.29 18.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.909 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -125.47 132.15 52.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.101 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -111.87 127.96 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -130.25 150.88 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 75.32 111.136 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.85 44.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 70.34 110.878 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.32 162.18 21.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 71.12 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.67 28.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.722 2.281 . . . . 74.22 112.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -87.34 9.71 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 72.54 110.924 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -76.98 148.35 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.09 -18.52 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.51 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -69.2 -32.76 72.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 70.55 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.26 124.72 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.895 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.12 177.99 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.872 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 118.41 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.886 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -96.73 -31.7 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.1 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -137.61 150.01 47.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -64.36 158.21 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.82 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t30 63.73 16.52 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 64.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.5 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 148.67 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -142.86 178.16 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 70.11 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.02 141.07 40.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.131 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.18 124.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.133 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 131.32 54.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.45 110.893 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.83 -17.65 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.1 111.133 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -40.72 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.02 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.14 -5.91 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.842 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m120 51.73 29.48 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.88 131.59 53.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.13 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 m -113.5 144.53 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.096 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.44 121.86 20.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 75.01 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 148.36 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.881 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.87 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.359 . . . . 72.45 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -108.77 145.64 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.5 110.939 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -118.32 133.1 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.21 122.83 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 75.2 111.111 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.3 160.8 24.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 73.51 112.485 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.09 44.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 74.22 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.61 166.16 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.856 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 150.96 36.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.52 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.89 -23.06 52.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.907 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.23 -46.86 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 72.3 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -89.57 -14.82 34.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 33.02 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -126.08 137.37 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 70.03 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -98.0 162.78 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.834 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -143.1 122.22 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.55 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -136.1 163.47 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.935 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.55 130.24 53.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.908 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -78.17 173.22 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.34 -22.84 54.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.861 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -8.84 57.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.1 -17.33 56.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.459 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 151.82 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 71.43 110.935 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.14 120.85 37.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -118.89 135.28 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.151 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.36 135.79 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.889 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -137.89 140.96 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 72.35 111.107 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 150.2 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.884 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.0 158.21 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 74.31 110.894 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 144.59 54.77 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 74.22 112.373 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 8.76 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.928 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -77.96 145.89 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.833 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.44 -18.66 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.01 110.835 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.54 -31.5 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.66 124.18 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.2 110.893 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -165.86 177.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.889 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.2 m -106.83 118.58 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.918 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -97.82 -32.39 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.13 111.175 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 161.2 36.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.853 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -75.34 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 21.67 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.949 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 71.43 110.908 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 146.1 39.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.886 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.76 178.47 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.6 141.13 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 111.15 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.7 t -137.78 124.72 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.02 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -113.92 130.75 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.892 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -18.36 31.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 65.31 111.124 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.922 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -102.95 -5.96 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 73.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 51.6 29.34 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.76 135.07 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 70.44 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.25 144.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.126 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 116.94 20.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 t -101.33 134.25 44.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 74.34 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.858 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.86 0.362 . . . . 71.34 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -130.05 120.94 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -116.95 132.68 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -98.96 129.51 45.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.52 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 162.17 26.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 75.12 112.485 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.04 143.76 45.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 74.21 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.11 159.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.24 110.866 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 143.42 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.184 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -75.83 -22.48 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 74.04 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 -50.3 66.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -105.23 -2.77 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.42 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 50.09 34.31 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -115.74 146.23 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 t -108.16 155.98 19.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 129.69 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.861 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -148.33 164.26 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.949 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -97.1 141.45 30.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -95.82 -176.93 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -25.29 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.87 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.69 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.076 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.26 -17.34 56.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 73.22 112.468 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -73.59 151.39 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.22 128.72 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.871 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -123.87 129.18 50.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.55 111.123 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.9 132.12 54.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -133.3 137.1 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 73.43 111.09 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 151.16 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 74.55 110.897 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.09 161.14 24.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 74.45 110.949 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.96 34.32 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.71 2.274 . . . . 71.24 112.362 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -85.56 8.54 18.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.874 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -78.0 144.86 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -17.72 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.919 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -31.6 70.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -155.86 124.34 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.889 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -166.41 174.0 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.868 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.14 118.96 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.8 p -96.86 -30.44 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 75.51 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -129.84 146.27 51.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.89 154.39 41.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.921 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.82 17.63 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.91 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.16 -171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 147.81 50.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -141.97 177.12 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.854 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.58 144.89 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.33 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -143.8 125.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -115.72 132.25 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 62.15 110.852 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -18.44 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.133 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -41.54 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.905 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -102.94 -5.8 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 51.7 30.16 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.96 147.61 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.44 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.99 143.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.32 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.96 130.38 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 63.22 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.44 ' HA ' ' HB3' ' A' ' 43' ' ' CYS . 5.3 m -117.35 132.33 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.924 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.909 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 73.22 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.53 143.12 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.901 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -131.37 132.91 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.79 120.09 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.14 111.17 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HD2' ' A' ' 42' ' ' LYS . . . -139.09 158.34 25.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 42.04 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -113.74 147.42 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 72.52 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.78 166.02 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 74.15 110.867 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.75 148.73 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -77.21 -22.68 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -77.74 -47.17 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.851 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -12.71 28.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 49.89 34.02 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -127.38 141.45 51.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.855 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -99.81 162.05 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.12 122.98 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.898 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -133.97 163.96 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -109.62 124.39 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.903 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -77.45 176.54 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -57.67 -23.83 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 71.33 110.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.1 -14.32 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.24 111.101 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.13 -13.77 63.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 65.3 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -69.79 150.16 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.44 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -91.02 120.74 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.905 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -118.99 127.58 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 75.03 111.092 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -112.01 130.06 55.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.78 144.26 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 64.31 111.132 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 149.06 50.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.929 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.85 161.62 23.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.592 0.71 . . . . 73.12 110.868 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 134.2 27.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 64.11 112.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.37 9.52 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.885 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.65 145.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.5 -19.3 56.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -70.43 -31.9 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.62 125.23 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.11 173.95 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.925 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 74.2 m -99.0 116.99 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 45.45 110.866 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -99.82 -31.87 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -124.35 152.78 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.862 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -75.11 153.39 38.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.88 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 t30 65.55 14.2 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.816 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.9 m-20 -55.47 179.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 71.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -125.2 135.61 52.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.913 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 p -130.47 177.58 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.41 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.5 142.64 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 63.13 111.134 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -148.04 125.55 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.108 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.42 131.19 54.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 71.51 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -18.92 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 64.23 111.153 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -83.69 -40.17 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.928 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.08 -5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.02 110.892 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 52.2 27.63 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.15 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.31 123.41 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 p -122.41 140.75 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.34 111.087 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.51 120.4 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.809 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 3.0 t -101.11 132.11 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 64.13 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.816 0.341 . . . . 73.41 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -126.17 123.79 39.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 75.24 110.959 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.06 132.77 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 74.33 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.66 122.67 41.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.31 111.186 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.42 161.67 25.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 51.42 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -115.05 137.35 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 73.32 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.03 163.66 20.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.13 110.896 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.45 147.51 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.12 111.139 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -76.01 -22.24 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -84.2 -47.12 11.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.894 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -89.41 -15.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 48.35 44.1 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 64.02 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -135.05 127.51 30.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.74 162.92 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 124.26 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -143.57 164.3 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.882 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -76.53 -171.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.31 -37.02 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.871 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.51 111.08 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.38 -2.82 84.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 65.21 112.494 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -77.54 133.31 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 75.43 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 121.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.858 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -125.51 135.37 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.136 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.96 131.56 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.23 143.88 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 74.2 111.148 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 147.05 53.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.909 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.05 158.61 31.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 74.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 137.99 36.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.68 2.253 . . . . 71.42 112.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.94 8.84 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.844 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -78.27 146.78 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 74.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -19.06 48.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.896 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.67 -31.62 68.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 70.34 110.864 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.92 125.24 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -167.19 179.22 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.858 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.11 119.9 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.854 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -96.63 -13.08 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.144 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.77 166.0 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 7.2 p-10 -94.56 140.08 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.86 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.01 4.34 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 70.43 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -58.21 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 151.13 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.864 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.6 177.68 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.864 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.98 140.93 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.169 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -143.88 125.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.23 111.125 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -117.96 132.53 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.55 27.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 72.25 111.154 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -45.48 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -98.17 -5.12 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.32 110.94 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 52.3 28.88 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.7 142.96 32.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 61.05 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -132.89 143.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 73.11 111.135 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.15 115.98 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.875 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.68 137.68 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.857 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.375 . . . . 71.53 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 160.29 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.892 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -115.01 132.91 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.72 120.4 40.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 74.44 111.111 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 161.0 25.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 74.21 112.473 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 146.89 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 74.52 110.917 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 p -124.19 165.33 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.879 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.85 150.45 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 65.33 111.131 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -76.93 -23.36 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -82.49 -47.3 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -14.43 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.02 110.937 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 48.75 33.04 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.895 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.0 142.44 51.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.38 166.91 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 122.73 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -142.15 163.94 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -96.86 141.07 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.946 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -95.98 -172.08 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.905 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -56.62 -34.99 67.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.866 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.88 -11.94 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.05 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.87 -5.67 78.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 62.1 112.5 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -75.45 148.95 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 75.43 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.69 121.69 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 53.45 110.936 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -121.98 127.94 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.183 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -111.98 150.29 30.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -152.29 147.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.119 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 148.12 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.901 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.79 160.03 27.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 62.42 110.868 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.38 65.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 74.51 112.367 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 9.64 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.51 161.22 28.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.33 -17.23 61.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 65.32 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -68.04 -33.44 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.909 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -157.93 123.42 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.2 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -167.02 169.1 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.874 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -98.67 118.51 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.5 -17.69 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.155 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.0 148.25 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.848 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.48 157.25 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.859 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.58 17.35 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -170.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.905 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.43 152.22 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.896 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.24 178.24 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.53 140.51 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.114 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.16 124.7 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.23 130.62 56.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 54.2 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.78 -18.02 32.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 73.21 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.42 -41.08 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.23 110.925 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -102.97 -6.07 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 73.33 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.52 29.42 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.919 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.58 131.9 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 62.03 111.083 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.6 m -116.92 141.78 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.144 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.1 115.84 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.901 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 p -112.57 141.97 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.875 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 65.4 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -97.01 117.89 32.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.893 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.08 133.12 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.916 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.99 124.83 50.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.121 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.4 161.53 25.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 62.02 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 143.31 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 75.24 110.911 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.74 165.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.846 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.31 150.77 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.21 111.15 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.1 -23.56 51.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -83.34 -47.42 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.32 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -15.25 36.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 73.25 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 48.2 34.01 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.913 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -126.81 133.39 50.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.7 161.55 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.22 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -139.41 122.63 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.891 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -141.28 163.67 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.2 110.93 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -101.72 126.51 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 64.52 110.922 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.42 179.48 5.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.871 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.82 -36.8 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.828 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.57 -12.98 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.123 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.82 -17.73 53.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 71.32 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.98 133.09 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 75.45 110.906 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.56 123.03 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 61.24 110.889 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -125.67 133.17 52.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.166 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -116.58 132.44 56.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.04 142.56 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 72.4 111.151 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 148.9 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.926 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.23 161.52 23.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 64.51 110.945 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.38 50.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 75.32 112.354 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 8.52 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -78.56 150.86 32.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 63.22 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -18.88 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.44 -31.81 67.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.9 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.27 125.72 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.899 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -166.56 168.95 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 74.5 110.928 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 90.9 m -98.49 116.72 31.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.909 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 p -100.1 -32.3 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.4 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.1 ttmt -122.15 146.71 46.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.51 110.896 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.33 150.97 43.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.868 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.44 18.58 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.899 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 2.0 m-20 -58.62 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.882 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 143.13 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.928 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -135.31 177.38 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.2 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.33 144.47 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.174 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.86 124.82 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.159 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.16 130.95 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -17.07 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 73.21 111.138 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.69 -40.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 71.53 110.941 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.35 -5.63 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 71.11 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 52.47 26.07 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.25 125.24 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.042 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.44 140.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.42 111.151 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.3 127.44 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t -104.55 112.79 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.907 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.841 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.845 0.355 . . . . 75.13 111.088 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -113.24 160.24 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.12 110.912 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -123.26 133.15 54.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.895 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.05 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 72.33 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.0 160.99 24.8 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 54.04 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -116.38 145.3 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 74.23 110.847 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 p -125.71 165.56 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.908 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.13 148.33 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 72.21 111.169 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -76.47 -23.66 53.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.924 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -47.08 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.01 110.876 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -88.46 -14.46 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 48.75 33.33 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.46 136.44 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.01 160.73 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 65.21 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -140.95 122.91 15.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -140.03 163.59 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -108.13 127.71 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 74.02 110.879 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -77.51 176.57 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.51 110.899 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -57.76 -24.14 55.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.875 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.73 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 52.11 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.05 -17.07 57.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.87 154.31 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 72.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.23 121.63 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 111.63 15.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.5 111.128 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -112.02 142.18 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -140.06 151.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 147.89 36.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.833 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.52 156.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.52 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.17 67.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.42 112.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -89.03 9.76 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 71.45 110.89 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.47 161.44 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -17.47 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 70.31 110.89 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -68.35 -33.36 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.62 123.63 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.877 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.12 169.64 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.912 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -98.43 118.7 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.14 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.2 -18.45 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.132 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 150.33 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.34 110.893 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASN . 7.6 p30 -65.09 167.64 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.899 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' ASP . 2.6 p-10 47.75 26.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.32 110.853 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.44 -169.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.898 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 151.07 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.45 110.937 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.1 178.1 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 75.13 110.887 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 140.38 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 64.41 111.112 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -141.04 125.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.135 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 132.56 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.852 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -17.78 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 75.33 111.164 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -82.19 -41.24 20.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -103.16 -6.04 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 73.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.61 30.34 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.863 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.8 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 71.24 111.116 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 133.91 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.9 115.92 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.825 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 p -113.53 141.68 46.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.879 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 74.43 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -97.12 119.63 35.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 74.35 110.918 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -116.17 132.79 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.929 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.2 123.26 45.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 73.1 111.157 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.46 160.54 23.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 72.51 112.491 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 146.49 42.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 73.21 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 14.2 p -124.59 160.23 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.9 t -103.64 155.71 18.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 55.41 111.166 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -85.02 -22.34 29.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -81.38 -49.78 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -13.55 29.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' THR . 49.3 t-20 49.44 41.89 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.892 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 5.3 pt-20 -127.61 134.3 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.11 168.24 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.851 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 126.18 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -130.97 163.98 26.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.907 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -101.92 118.05 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -76.87 173.99 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -23.92 53.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.881 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.46 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.116 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.18 -17.26 56.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 63.34 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -72.68 150.8 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.4 110.9 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.76 123.21 33.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.824 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -118.29 127.11 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.097 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -111.83 139.18 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -140.75 144.3 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.34 111.178 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 147.78 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.94 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.85 160.73 25.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 71.33 110.889 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.9 66.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.241 . . . . 74.42 112.344 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -90.47 14.38 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.64 143.01 48.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.881 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -18.1 65.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.892 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -67.85 -32.82 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 127.69 5.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.952 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.02 178.7 6.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 75.41 110.953 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.51 118.67 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.894 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -96.04 -31.22 13.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.157 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.2 152.98 46.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.922 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -66.23 155.69 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 71.44 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.48 18.07 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.2 110.866 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.63 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 150.14 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.917 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -145.27 177.51 8.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.12 140.88 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 75.02 111.188 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.83 125.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.45 111.159 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 132.78 56.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.161 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -42.66 32.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.961 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -102.82 -5.3 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 63.15 110.847 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.13 29.92 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.45 146.25 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.06 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.2 t -132.89 139.0 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.137 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.13 120.66 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.889 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.6 m -101.65 140.5 35.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.895 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.586 ' N ' ' HG1' ' A' ' 47' ' ' THR . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.851 0.358 . . . . 61.12 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.77 128.4 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.843 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -124.55 133.03 53.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.5 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -101.12 129.81 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.03 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.73 160.86 25.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 70.42 112.493 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -116.42 146.64 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 74.52 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.38 165.58 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 62.54 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 149.71 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 65.42 111.126 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -23.86 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.925 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -47.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -15.17 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.899 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 48.62 33.32 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.827 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -127.13 137.61 53.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.22 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -97.44 164.45 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.28 125.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -138.06 164.04 30.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.24 122.2 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 75.24 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.43 179.38 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.74 -36.7 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.845 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.71 -13.34 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 64.22 111.123 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 -17.65 53.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.472 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -63.86 149.52 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.321 . . . . 75.24 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.71 122.82 27.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 73.04 110.894 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 m -118.9 127.15 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 64.23 111.106 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -111.89 126.29 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -130.01 133.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 149.01 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 73.41 110.923 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 m -100.17 158.98 31.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 71.43 110.85 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.35 50.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.649 2.233 . . . . 73.51 112.361 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -87.49 9.73 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 65.12 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -76.9 146.32 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.53 -18.49 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -69.17 -32.54 71.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.868 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.03 124.4 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.38 177.47 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.888 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -98.75 118.07 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.12 110.854 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -97.36 -27.5 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.22 111.126 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 165.26 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.24 110.904 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -77.02 160.11 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.63 18.94 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.02 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.929 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 145.42 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.04 110.861 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.68 178.32 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 53.53 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.44 140.83 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 61.43 111.123 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -140.88 124.93 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.42 111.135 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.42 131.27 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.24 110.849 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.586 ' HG1' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -85.95 -17.87 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.139 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.96 -40.79 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.924 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -103.12 -5.89 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 65.4 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.71 29.55 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.77 127.54 53.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.136 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.1 m -112.83 144.21 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.085 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.4 124.49 27.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.87 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.48 140.61 36.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.867 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 65.24 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -113.81 133.12 55.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -103.64 129.93 51.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 53.41 111.094 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.82 160.6 25.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 73.51 112.455 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.36 142.09 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 73.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.12 165.51 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 151.37 35.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 71.13 111.137 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -76.73 -23.62 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -47.07 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.855 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -88.52 -15.38 35.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.879 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.4 33.53 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 73.23 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -128.5 136.61 51.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.859 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -96.46 163.52 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 73.24 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 122.89 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -137.44 163.83 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 41.21 110.938 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -104.22 132.54 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.885 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.3 -172.22 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.893 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.68 -14.96 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.54 110.849 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.86 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.05 -11.62 66.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 74.12 112.458 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -84.97 155.12 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 71.33 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -88.38 117.76 27.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 51.44 110.848 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -108.88 133.08 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.02 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -114.56 128.93 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.906 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.44 144.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.01 111.078 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 148.39 51.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 65.35 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 161.5 23.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.741 . . . . 62.23 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.54 30.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 73.14 112.378 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.21 9.53 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.867 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.62 145.23 36.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.858 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -19.29 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.847 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -70.18 -31.96 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -156.26 124.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.5 175.81 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 53.13 110.858 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 82.6 m -99.09 117.86 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.92 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -99.1 -31.84 11.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 71.05 111.167 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.87 159.39 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.89 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.89 155.76 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.902 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.37 21.08 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.34 110.925 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.37 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 71.12 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 144.63 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.898 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -139.44 177.54 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 144.79 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 41.41 111.104 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' VAL . 51.9 t -147.29 125.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.145 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.46 132.49 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 54.43 110.903 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -20.63 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.05 111.146 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.57 -42.78 33.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 64.11 110.926 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -102.56 -5.12 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.929 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 52.3 29.34 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.73 146.58 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.15 111.118 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG13 HG22 ' A' ' 45' ' ' VAL . 92.8 t -132.88 144.11 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.01 111.145 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.83 117.13 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.832 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.1 t -101.39 136.8 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.874 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.82 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.762 0.315 . . . . 72.11 110.903 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.02 132.69 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.14 123.17 43.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 65.24 111.151 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.55 161.01 24.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.511 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -116.46 145.23 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 74.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 p -124.57 162.78 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 64.15 110.829 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 150.14 30.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 73.45 111.124 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -23.13 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 55.43 110.89 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -46.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -15.0 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.24 110.894 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 48.71 35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 62.33 110.864 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -131.84 139.89 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.61 168.22 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.62 124.27 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -128.62 163.94 23.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.44 118.36 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.869 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -76.94 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.13 -23.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 43.33 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.5 -14.03 61.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.108 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 -17.4 55.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 75.32 112.453 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.23 152.33 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 72.21 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.24 119.34 30.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 62.02 110.925 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -114.83 133.53 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 55.51 111.137 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -111.91 140.41 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 tt -139.14 145.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 60.45 111.139 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 147.31 53.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.53 110.889 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.81 161.56 23.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 33.2 110.884 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.0 39.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 2.233 . . . . 51.22 112.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -86.5 9.88 16.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.911 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -76.59 145.4 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 74.42 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -18.23 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.84 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -68.84 -32.89 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.33 124.39 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.11 110.876 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.93 173.32 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.885 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 117.32 33.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -98.32 -31.08 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.172 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 159.11 42.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -74.86 158.45 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 72.42 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.82 18.56 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 61.13 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.77 149.75 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -136.26 177.76 7.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 64.35 110.907 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 140.35 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.41 111.108 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 52' ' ' VAL . 93.6 t -141.07 125.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 72.14 111.073 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 132.82 51.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.35 110.93 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.1 -17.23 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 54.33 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -82.43 -41.74 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.928 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -103.09 -5.66 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 74.04 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.91 34.97 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.908 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.71 147.86 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 43.32 111.07 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 45' ' ' VAL . 69.0 t -127.04 142.96 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.44 111.177 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.96 123.19 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.3 m -102.75 140.2 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.904 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.851 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.333 . . . . 75.21 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.97 133.06 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 t -107.76 129.42 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.35 111.127 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.59 161.03 26.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.778 -0.725 . . . . 63.54 112.509 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.74 43.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 63.1 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.96 163.48 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 42.25 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.33 150.87 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 63.22 111.138 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -76.66 -24.79 53.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.946 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -47.12 11.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.8 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 52.24 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.08 33.41 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.899 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.12 136.05 51.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.851 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.32 165.8 12.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 122.74 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 62.41 110.826 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -138.66 163.7 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.94 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.875 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -76.52 -173.79 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 74.02 110.869 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.16 -37.25 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -72.06 -9.03 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 52.13 111.094 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.98 -4.17 81.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 71.44 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -71.2 137.23 48.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 74.32 110.842 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.79 120.84 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.5 m -122.01 124.97 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.15 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.84 129.25 56.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.01 110.893 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -132.94 143.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 148.47 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 55.53 110.865 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.8 161.06 25.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 62.32 110.864 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.27 32.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.629 2.219 . . . . 73.44 112.366 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -88.17 9.66 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.921 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.11 146.6 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -18.82 60.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.891 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.43 -32.39 71.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.878 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 124.77 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.12 110.915 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.88 177.43 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.887 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.2 m -98.98 119.6 38.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.7 p -96.32 -31.37 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.12 157.5 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.948 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 8' ' ' THR . 2.3 m-20 -71.88 160.42 32.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 64.22 110.88 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.27 19.43 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.04 110.885 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.03 142.15 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.23 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.866 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 143.89 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.12 111.139 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 52' ' ' VAL . 59.1 t -145.9 124.76 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.157 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.71 131.19 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 62.31 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -18.04 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.121 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -40.37 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -102.93 -5.89 23.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 61.42 110.935 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.84 28.54 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.944 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.58 129.37 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 63.13 111.143 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.955 HG12 HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -122.08 141.84 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.163 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.29 111.95 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 65.23 110.89 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -104.85 133.38 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.871 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.809 0.337 . . . . 73.43 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -136.75 132.78 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.932 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.0 122.33 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 65.51 111.163 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.48 160.91 24.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.492 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -116.45 145.24 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 73.14 110.922 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -127.5 165.59 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.914 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 150.4 35.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.34 111.129 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -75.99 -23.1 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -47.03 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.819 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -15.27 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 72.33 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 48.77 34.62 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -129.67 137.02 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 52.41 110.865 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.43 164.91 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.41 110.887 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.23 124.51 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.914 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -140.09 164.12 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 74.05 110.951 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -97.1 123.34 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.3 110.88 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.53 -172.91 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.917 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.86 -37.13 68.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.877 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -69.61 -11.2 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 53.05 111.095 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.43 -4.67 80.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 30.22 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -72.63 145.27 47.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 72.03 110.875 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.1 119.33 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.845 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -124.96 131.98 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.25 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -111.97 145.95 38.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 53.22 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -145.23 151.66 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.64 146.84 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.886 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.29 160.91 24.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 73.03 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 140.88 43.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 71.43 112.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -87.78 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -77.03 146.13 37.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.914 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -18.16 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.855 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -68.73 -32.79 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.22 124.15 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.876 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.26 173.15 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.9 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.11 118.97 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 63.35 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -99.13 -31.97 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.102 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -135.07 163.0 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.99 158.64 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.846 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.29 18.47 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.07 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.08 147.54 44.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 m -135.7 178.3 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.888 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.74 140.34 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.22 111.123 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 52' ' ' VAL . 99.4 t -148.1 127.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.117 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.0 131.69 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 71.35 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -17.6 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.197 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -40.88 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 55.55 110.918 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -103.26 -5.47 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 52.31 27.95 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.43 123.32 43.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 63.35 111.066 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.34 136.45 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 63.22 111.145 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.84 134.14 32.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m -105.74 147.38 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.42 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.818 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.76 0.314 . . . . 62.24 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -111.07 132.92 53.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -106.29 129.65 54.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 52.13 111.112 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.42 160.65 26.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 60.25 112.441 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -115.57 144.84 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.53 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 p -123.06 161.92 23.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 41.31 110.913 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.73 150.8 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.03 111.161 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -76.55 -23.39 53.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -83.08 -47.34 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 41.53 110.879 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -15.23 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 48.71 33.19 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.868 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.5 138.02 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 64.34 110.871 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -96.4 150.46 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 60.3 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.75 124.25 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 65.01 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -140.95 163.85 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -111.32 145.15 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.903 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -173.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 63.41 110.899 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.96 -15.38 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.66 -4.67 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.33 111.109 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.56 1.17 81.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 34.3 112.463 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -82.66 130.92 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.5 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.73 121.57 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.851 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.5 m -126.29 112.46 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.185 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -111.66 150.83 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -145.25 148.34 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.173 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 147.21 27.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.926 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.12 158.13 32.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 75.23 110.878 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.8 68.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.34 112.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -87.83 9.73 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 62.34 110.909 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.57 160.95 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 53.52 110.847 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -72.18 -16.98 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.887 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -67.95 -33.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.87 122.76 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -167.46 169.68 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 60.33 110.877 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -98.76 120.14 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -87.61 -32.0 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.03 161.99 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.896 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.49 161.03 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.887 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t30 63.88 15.5 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.865 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.54 151.23 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.864 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.59 177.38 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.73 141.07 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.23 111.174 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.04 125.01 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 60.52 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.74 132.61 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.882 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -17.55 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 70.03 111.133 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -40.97 20.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.924 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -103.23 -6.2 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 54.34 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.61 30.26 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.883 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.22 147.61 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -132.91 136.0 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 63.31 111.16 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.98 116.7 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.861 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -114.34 141.03 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.14 110.9 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 72.15 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.17 132.75 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.45 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.02 129.71 45.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 73.53 111.166 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.91 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 51.22 112.477 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -116.12 144.0 44.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 72.54 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -124.36 158.78 31.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.9 151.29 23.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 53.11 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -77.68 -24.18 49.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 50.3 110.862 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -83.49 -47.35 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.846 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -15.61 36.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 47.8 39.3 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.54 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -131.89 133.8 45.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -91.97 167.47 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.15 125.07 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.957 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -130.57 164.06 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 72.22 110.914 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -98.48 121.07 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.903 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -77.51 178.8 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.81 -25.13 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.819 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.6 -12.27 60.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 51.05 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 -16.42 58.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 65.44 112.458 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 157.3 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 72.33 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -95.55 119.77 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 41.51 110.87 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -115.8 129.57 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.157 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -111.83 139.86 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.829 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -138.61 143.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.14 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 147.48 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.2 110.899 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.76 162.66 19.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 74.42 110.898 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.03 34.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 75.4 112.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 9.93 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.15 110.891 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -75.94 140.76 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.03 -18.91 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 61.12 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.37 -32.43 71.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.35 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.21 123.08 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.856 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -167.78 177.99 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.905 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.1 119.54 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 p -96.01 -31.36 13.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.43 111.182 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.17 153.45 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.936 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.43 156.07 38.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 63.44 110.853 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 64.86 14.01 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.28 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 151.75 50.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.879 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.89 177.81 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.73 141.19 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.131 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.612 HG13 HG12 ' A' ' 52' ' ' VAL . 59.0 t -140.21 124.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.54 111.164 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 131.69 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.877 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 -17.04 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.43 111.138 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -45.39 20.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.92 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 1.5 p30 -103.78 -3.49 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 62.41 110.832 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 52.52 33.54 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -105.8 132.94 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.093 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.612 HG12 HG13 ' A' ' 45' ' ' VAL . 4.5 m -117.68 144.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 62.31 111.136 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.24 117.33 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 54.31 110.844 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 m -101.99 135.06 44.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.892 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.846 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.739 0.304 . . . . 73.21 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -121.49 132.85 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.921 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -98.29 129.5 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.02 111.111 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.45 25.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 42.22 112.515 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.68 141.44 48.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 74.34 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -124.34 164.72 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 151.43 35.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 61.25 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -76.56 -23.42 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.889 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.43 -46.96 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.21 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -88.62 -15.46 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.46 33.9 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 71.31 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.21 138.34 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 41.51 110.847 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.1 166.18 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.99 123.36 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -127.42 164.06 22.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.11 110.934 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -106.32 118.67 37.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 51.53 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -77.19 179.74 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.56 -22.97 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 55.2 110.906 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -14.72 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.106 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.35 -17.59 55.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 61.15 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -72.02 148.68 45.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 75.12 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.87 119.98 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -112.33 130.18 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.119 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -111.89 138.7 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.45 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -140.9 142.74 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 62.41 111.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 149.27 50.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.884 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.41 160.94 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 73.42 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.34 112.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 9.81 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.886 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -76.87 145.56 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -17.91 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.875 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -68.78 -32.8 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.35 124.31 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.29 170.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.4 110.864 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.73 117.7 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.86 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -32.32 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.109 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.56 46.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.942 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.74 156.06 39.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.887 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.0 19.28 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.55 110.856 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.22 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 151.05 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.888 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 m -136.78 178.25 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.11 110.873 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.6 140.47 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.53 111.103 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 HG12 ' A' ' 52' ' ' VAL . 61.5 t -137.32 124.97 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.082 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.22 131.79 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.799 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -17.38 37.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 72.3 111.172 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -40.73 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.912 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -103.29 -5.86 22.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.25 110.9 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 51.69 30.03 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.86 134.6 48.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 53.34 111.102 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 HG13 ' A' ' 45' ' ' VAL . 7.8 m -114.44 144.33 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.05 111.167 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.01 124.97 25.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.1 m -102.45 140.66 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 65.04 110.924 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.788 0.328 . . . . 75.51 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -128.9 133.08 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.954 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.92 123.09 41.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.102 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 162.32 25.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.43 112.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.46 146.64 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 64.4 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -128.74 163.52 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 71.51 110.838 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -105.74 149.38 26.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 73.51 111.09 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -76.64 -24.38 53.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -47.17 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 55.21 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -86.75 -15.75 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 75.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 48.26 33.71 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.46 130.44 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.89 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.65 161.58 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.4 126.92 23.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 63.11 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CE2' HG21 ' A' ' 45' ' ' VAL . 5.1 p90 -145.83 165.03 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.95 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -97.25 120.57 37.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.22 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.485 HD21 ' HB ' ' A' ' 24' ' ' THR . 3.8 p30 -75.83 169.46 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -26.83 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . -66.9 -13.22 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 53.31 111.109 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 -17.85 54.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 35.24 112.494 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -80.0 145.77 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 74.01 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.84 126.33 30.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.835 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.485 ' HB ' HD21 ' A' ' 18' ' ' ASN . 1.4 t -124.14 150.18 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.118 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -134.14 136.17 43.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.919 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.97 149.91 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.33 111.159 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 145.3 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.927 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.26 150.68 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 71.12 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.43 38.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 72.3 112.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -88.54 9.38 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -77.9 153.62 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.868 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.49 -17.03 63.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -32.1 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.889 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.02 124.2 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.5 110.883 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -166.57 167.13 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.879 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.0 m -99.43 119.86 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 p -84.39 -31.91 24.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 75.24 111.136 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -150.22 167.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.871 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.494 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 p-10 -84.61 156.76 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.868 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.9 12.6 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 73.45 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.78 -170.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 148.94 50.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.878 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -135.77 177.25 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.35 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.03 139.73 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 31.33 111.16 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.691 HG21 ' CE2' ' A' ' 16' ' ' TYR . 68.9 t -148.29 128.91 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 63.1 111.124 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.04 132.3 54.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.897 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -17.82 37.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 64.5 111.125 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -103.2 -5.09 23.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.35 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 52.51 28.03 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.2 110.911 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.57 123.02 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 45.2 111.125 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.481 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.11 137.79 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.144 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -139.38 121.05 15.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.0 m -101.09 139.14 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.876 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 73.5 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.326 . . . . 74.11 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -111.02 132.82 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 124.26 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 72.15 111.111 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.06 161.58 24.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 53.31 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 140.78 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 55.51 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 4.2 p -124.53 165.53 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.904 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.46 151.53 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.54 111.096 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.78 -24.09 52.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 p -82.81 -47.13 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.15 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -87.75 -15.73 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.14 33.97 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 50.2 110.847 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.19 135.52 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.855 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 t -96.37 163.61 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 53.24 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.2 123.93 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.911 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -138.96 164.21 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.45 110.932 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.16 122.2 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 65.04 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -77.2 -178.74 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.909 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -61.95 -23.72 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 61.12 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.65 61.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.061 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.0 -17.08 56.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 44.12 112.474 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -74.14 158.63 33.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 55.12 110.872 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.62 129.11 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.885 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 m -123.21 124.74 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 64.1 111.12 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -111.87 126.21 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -130.34 140.03 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 71.3 111.137 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 150.62 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.22 110.862 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.57 159.01 30.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 50.44 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.57 40.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 75.13 112.364 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -89.0 12.12 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 65.41 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.86 151.16 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 60.24 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -17.09 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 62.33 110.826 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -67.7 -35.04 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 61.44 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.74 127.62 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.894 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.52 177.6 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.923 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 72.9 m -98.39 116.55 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -100.2 -31.64 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.126 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.7 tttm -124.65 162.99 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.912 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.08 151.94 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 65.41 110.834 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.01 17.73 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.888 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 3.1 m-20 -59.09 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.863 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.87 139.87 47.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.844 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 p -130.25 177.35 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 50.54 110.878 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.98 143.7 38.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.1 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 52' ' ' VAL . 70.3 t -145.65 125.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.091 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.71 132.43 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -24.15 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 62.33 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -45.99 27.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.925 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.31 -6.07 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.98 28.17 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.34 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.79 141.16 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 45' ' ' VAL . 98.7 t -133.01 144.04 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.109 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.93 116.3 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 54.33 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 4.6 t -103.82 136.05 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 53.12 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.898 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.768 0.318 . . . . 65.51 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -136.86 132.81 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 64.33 110.888 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.18 121.45 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 74.02 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.01 160.75 25.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 54.01 112.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 146.01 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 72.24 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 16.4 p -127.05 165.25 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.874 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.81 151.14 28.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 43.41 111.151 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -76.89 -23.89 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.9 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -83.95 -47.07 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 61.52 110.825 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -15.49 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.36 33.69 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.845 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 4.7 pt-20 -126.42 137.32 53.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 43.03 110.901 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.18 167.31 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -144.3 122.47 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.884 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -141.02 164.07 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -97.16 136.29 37.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -172.14 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.935 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.26 -17.54 58.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 72.15 110.848 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.09 60.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 25.31 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.39 -10.32 69.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 54.41 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -87.74 158.61 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 75.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 129.7 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 64.2 110.897 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -125.56 135.49 52.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 62.44 111.121 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.82 138.97 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.939 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 tt -142.07 138.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 148.86 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.41 110.89 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.53 161.92 21.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 73.2 110.854 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.39 47.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 73.21 112.325 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 9.75 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.867 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.62 146.12 38.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -17.49 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 61.33 110.889 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.75 -33.43 73.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 60.11 110.888 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.63 124.34 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.905 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.5 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 61.33 110.907 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.97 116.36 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.885 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.41 -32.91 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.196 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -121.22 148.54 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.96 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.29 152.21 43.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 64.01 110.849 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.13 20.89 12.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 63.54 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 150.74 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 m -136.09 177.81 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.09 140.46 34.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 54.13 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 52' ' ' VAL . 99.2 t -141.61 125.27 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.17 133.09 50.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.851 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 -17.79 39.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.164 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.56 -42.08 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.914 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -102.9 -5.38 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.03 34.92 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.866 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 147.7 28.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 63.24 111.076 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 45' ' ' VAL . 60.7 t -126.96 143.93 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.094 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.12 122.44 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.63 137.83 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 41.52 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 65.35 110.865 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.331 . . . . 61.43 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.0 132.88 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.967 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.98 125.89 44.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 51.1 111.137 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.26 160.82 25.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 72.25 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 145.18 42.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 45.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.31 158.35 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.05 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.61 149.98 23.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 44.22 111.14 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -77.1 -24.56 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.895 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -47.1 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.871 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.18 -15.23 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.861 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.52 32.59 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.895 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -124.11 137.15 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.93 166.09 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.02 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 127.27 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.891 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 45' ' ' VAL . 48.5 p90 -145.34 164.12 32.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.931 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -97.14 126.71 42.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 74.4 110.936 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.464 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.52 -172.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.867 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.87 -37.14 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.848 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -71.12 -10.03 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 63.53 111.091 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.41 -4.52 81.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 51.05 112.487 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -71.83 135.77 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 73.31 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.48 122.29 18.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 51.5 110.909 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -125.47 132.15 52.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.101 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -111.87 127.96 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -130.25 150.88 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 52.2 111.136 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.09 147.85 44.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 70.34 110.878 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.32 162.18 21.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 61.03 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.67 28.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.722 2.281 . . . . 73.53 112.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -87.34 9.71 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 64.25 110.924 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -76.98 148.35 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.09 -18.52 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.51 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -69.2 -32.76 72.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 54.32 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.26 124.72 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.895 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.12 177.99 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.872 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 118.41 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.886 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -96.73 -31.7 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.1 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 1.2 tptt -137.61 150.01 47.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -64.36 158.21 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.82 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t30 63.73 16.52 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 62.4 110.852 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.5 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.876 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 148.67 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -142.86 178.16 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 70.11 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.02 141.07 40.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.131 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 52' ' ' VAL . 92.0 t -137.18 124.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.133 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 131.32 54.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.45 110.893 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.83 -17.65 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.1 111.133 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -40.72 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.02 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.14 -5.91 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 62.24 110.842 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m120 51.73 29.48 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.88 131.59 53.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.13 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 45' ' ' VAL . 7.0 m -113.5 144.53 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 70.25 111.096 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.44 121.86 20.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 148.36 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 54.22 110.881 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 61.52 110.87 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.78 0.324 . . . . 65.22 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -118.32 133.1 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.21 122.83 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 52.21 111.111 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.3 160.8 24.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 73.51 112.485 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.09 44.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 64.44 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.61 166.16 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.856 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -116.2 150.96 36.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.167 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.89 -23.06 52.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.907 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.23 -46.86 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 64.15 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -89.57 -14.82 34.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 33.02 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -126.08 137.37 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.23 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -98.0 162.78 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.834 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -143.1 122.22 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -136.1 163.47 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.935 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.55 130.24 53.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.908 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -78.17 173.22 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.34 -22.84 54.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.861 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -8.84 57.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.1 -17.33 56.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.459 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 151.82 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 61.22 110.935 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.14 120.85 37.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -118.89 135.28 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.31 111.151 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.36 135.79 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.889 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -137.89 140.96 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.03 111.107 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 150.2 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.884 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.0 158.21 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 73.41 110.894 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 144.59 54.77 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 73.25 112.373 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 8.76 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.928 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -77.96 145.89 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.833 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.44 -18.66 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.01 110.835 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.54 -31.5 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.66 124.18 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.2 110.893 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -165.86 177.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.889 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.2 m -106.83 118.58 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.14 110.918 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -97.82 -32.39 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.52 111.175 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 161.2 36.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.853 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 3.4 p30 -75.34 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.875 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 21.67 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.949 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 70.12 110.908 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 146.1 39.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.886 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.76 178.47 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.6 141.13 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 111.15 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.7 t -137.78 124.72 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.02 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -113.92 130.75 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.31 110.892 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -18.36 31.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 65.31 111.124 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.922 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -102.95 -5.96 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 61.2 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 51.6 29.34 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 52.21 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.76 135.07 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 65.35 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.25 144.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.01 111.126 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 116.94 20.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 t -101.33 134.25 44.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 74.34 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.858 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.353 . . . . 71.32 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -116.95 132.68 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -98.96 129.51 45.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.52 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 162.17 26.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 75.12 112.485 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.04 143.76 45.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 73.15 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.11 159.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 71.4 110.866 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 143.42 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.184 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -75.83 -22.48 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 -50.3 66.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -105.23 -2.77 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 64.43 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 50.09 34.31 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 65.23 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -115.74 146.23 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 t -108.16 155.98 19.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 54.44 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 129.69 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.861 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -148.33 164.26 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.949 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -97.1 141.45 30.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -95.82 -176.93 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -25.29 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.87 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.69 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.12 111.076 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.26 -17.34 56.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 73.22 112.468 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -73.59 151.39 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 71.33 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.22 128.72 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.05 110.871 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -123.87 129.18 50.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.55 111.123 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.9 132.12 54.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -133.3 137.1 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 73.43 111.09 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 151.16 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 72.44 110.897 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.09 161.14 24.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 62.35 110.949 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.96 34.32 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.71 2.274 . . . . 71.24 112.362 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -85.56 8.54 18.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.874 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -78.0 144.86 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -17.72 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.919 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -31.6 70.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -155.86 124.34 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.889 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -166.41 174.0 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 62.31 110.868 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.14 118.96 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.8 p -96.86 -30.44 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 75.51 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -129.84 146.27 51.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.89 154.39 41.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.921 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.82 17.63 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.91 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.882 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 147.81 50.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -141.97 177.12 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 70.23 110.854 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.58 144.89 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.1 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -143.8 125.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 52.34 111.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -115.72 132.25 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 51.43 110.852 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -18.44 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.133 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -41.54 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.905 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -102.94 -5.8 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 51.7 30.16 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.96 147.61 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.13 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.99 143.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 70.21 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.96 130.38 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 44.31 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 43' ' ' CYS . 5.3 m -117.35 132.33 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.924 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.909 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.806 0.336 . . . . 53.34 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -131.37 132.91 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.24 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.534 HG22 ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -101.79 120.09 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.14 111.17 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 42' ' ' LYS . . . -139.09 158.34 25.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 42.04 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -113.74 147.42 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 64.52 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.78 166.02 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.867 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.75 148.73 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -77.21 -22.68 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -77.74 -47.17 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.851 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -12.71 28.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 49.89 34.02 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -127.38 141.45 51.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.855 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -99.81 162.05 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.12 122.98 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.898 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -133.97 163.96 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -109.62 124.39 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 64.04 110.903 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -77.45 176.54 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -57.67 -23.83 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.31 110.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.1 -14.32 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 72.15 111.101 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.13 -13.77 63.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 52.24 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -69.79 150.16 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.44 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -91.02 120.74 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.905 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -118.99 127.58 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 63.14 111.092 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -112.01 130.06 55.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.78 144.26 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 52.53 111.132 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 149.06 50.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.929 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.85 161.62 23.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.592 0.71 . . . . 73.12 110.868 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 134.2 27.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 63.05 112.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.37 9.52 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 64.35 110.885 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.65 145.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.5 -19.3 56.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -70.43 -31.9 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.62 125.23 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 62.55 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.11 173.95 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.925 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 74.2 m -99.0 116.99 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 44.51 110.866 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -99.82 -31.87 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 45.44 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 152.78 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -75.11 153.39 38.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.88 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 t30 65.55 14.2 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 55.3 110.816 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 179.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 71.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HD3' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.2 135.61 52.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.913 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 p -130.47 177.58 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.41 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.5 142.64 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 41.33 111.134 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -148.04 125.55 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.108 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.42 131.19 54.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 71.51 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -18.92 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 53.51 111.153 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -83.69 -40.17 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.928 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.08 -5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 63.33 110.892 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.2 27.63 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.02 110.881 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.31 123.41 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 p -122.41 140.75 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.34 111.087 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.51 120.4 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 53.01 110.809 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 3.0 t -101.11 132.11 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 64.13 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.793 0.33 . . . . 70.23 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.06 132.77 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 74.33 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.66 122.67 41.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 61.31 111.186 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.42 161.67 25.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 51.42 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HG2' ' HD3' ' A' ' 42' ' ' LYS . 1.2 mtmt -115.05 137.35 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 73.32 110.928 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.03 163.66 20.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.4 110.896 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.45 147.51 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.35 111.139 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -76.01 -22.24 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 64.11 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -84.2 -47.12 11.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.894 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -89.41 -15.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 48.35 44.1 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.05 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -135.05 127.51 30.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.74 162.92 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 124.26 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -143.57 164.3 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 55.03 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.882 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.506 HD21 ' HB3' ' A' ' 20' ' ' ALA . 1.1 p30 -76.53 -171.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 60.33 110.934 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.31 -37.02 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.2 110.871 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -68.88 -11.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 34.44 111.08 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.38 -2.82 84.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 65.21 112.494 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -77.54 133.31 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 74.22 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 121.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.858 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -125.51 135.37 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.136 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.96 131.56 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.23 143.88 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 53.52 111.148 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 147.05 53.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.909 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.05 158.61 31.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 74.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 137.99 36.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.68 2.253 . . . . 71.42 112.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.94 8.84 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.844 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -78.27 146.78 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 74.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -19.06 48.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.896 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.67 -31.62 68.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 70.34 110.864 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.92 125.24 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.45 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -167.19 179.22 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.858 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.11 119.9 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.854 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 55' ' ' ASP . 3.4 t -96.63 -13.08 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.77 166.0 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 54.41 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 7.2 p-10 -94.56 140.08 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.86 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.01 4.34 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 70.43 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -58.21 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -118.42 151.13 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.864 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.6 177.68 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.864 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.98 140.93 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.169 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 52' ' ' VAL . 84.7 t -143.88 125.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.23 111.125 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -117.96 132.53 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.55 27.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 72.25 111.154 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -45.48 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -98.17 -5.12 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 52.3 28.88 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.7 142.96 32.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 61.05 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 HG22 ' A' ' 45' ' ' VAL . 96.8 t -132.89 143.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 63.03 111.135 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.15 115.98 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.875 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.68 137.68 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.458 ' C ' HG22 ' A' ' 37' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.857 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 75.51 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -115.01 132.91 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.72 120.4 40.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.111 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 161.0 25.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 74.21 112.473 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 146.89 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 74.52 110.917 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 p -124.19 165.33 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.879 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.85 150.45 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 54.01 111.131 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -76.93 -23.36 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -82.49 -47.3 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.3 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -14.43 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.937 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 48.75 33.04 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.895 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.0 142.44 51.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.38 166.91 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 122.73 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -142.15 163.94 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 61.24 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -96.86 141.07 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.53 110.946 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.4 p30 -95.98 -172.08 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.905 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -56.62 -34.99 67.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . -69.88 -11.94 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.05 111.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.87 -5.67 78.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 20.51 112.5 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -75.45 148.95 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 75.43 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.69 121.69 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 53.21 110.936 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -121.98 127.94 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.183 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -111.98 150.29 30.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 72.3 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -152.29 147.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.23 111.119 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 148.12 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.901 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.79 160.03 27.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 62.05 110.868 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.38 65.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 74.51 112.367 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 9.64 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.51 161.22 28.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.33 -17.23 61.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 65.32 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -68.04 -33.44 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.909 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -157.93 123.42 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.14 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -167.02 169.1 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 70.04 110.874 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -98.67 118.51 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.5 -17.69 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.155 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.0 148.25 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.848 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.48 157.25 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.859 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.58 17.35 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -170.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 63.52 110.905 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.43 152.22 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.896 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.24 178.24 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.53 140.51 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.114 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.16 124.7 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.23 130.62 56.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 54.2 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.78 -18.02 32.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 64.32 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.42 -41.08 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.925 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -102.97 -6.07 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 73.33 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.52 29.42 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.919 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.58 131.9 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 51.44 111.083 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.6 m -116.92 141.78 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.144 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.1 115.84 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.901 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 p -112.57 141.97 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.875 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.806 0.336 . . . . 72.43 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.08 133.12 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.916 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.99 124.83 50.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.121 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.4 161.53 25.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 62.02 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 143.31 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 72.51 110.911 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.74 165.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.846 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.31 150.77 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.21 111.15 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.1 -23.56 51.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -83.34 -47.42 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.22 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -15.25 36.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 72.32 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 48.2 34.01 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.913 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -126.81 133.39 50.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.7 161.55 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.13 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -139.41 122.63 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.891 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -141.28 163.67 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.93 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -101.72 126.51 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 64.52 110.922 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.416 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.42 179.48 5.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.871 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.82 -36.8 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.828 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.57 -12.98 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.123 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.82 -17.73 53.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 51.13 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.98 133.09 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.34 110.906 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.56 123.03 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 61.24 110.889 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -125.67 133.17 52.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.166 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -116.58 132.44 56.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 65.41 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.04 142.56 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 63.1 111.151 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 148.9 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.926 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.23 161.52 23.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 52.12 110.945 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.38 50.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 75.32 112.354 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 8.52 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -78.56 150.86 32.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 63.22 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -18.88 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.44 -31.81 67.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.9 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.27 125.72 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 65.32 110.899 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -166.56 168.95 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.928 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 90.9 m -98.49 116.72 31.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.909 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 p -100.1 -32.3 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -122.15 146.71 46.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.51 110.896 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' THR . 35.7 m-20 -72.33 150.97 43.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.868 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.44 18.58 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 63.22 110.899 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.882 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 143.13 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 70.32 110.928 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -135.31 177.38 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.2 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.33 144.47 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.174 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.86 124.82 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.159 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.16 130.95 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -17.07 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 71.14 111.138 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.69 -40.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 71.53 110.941 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.35 -5.63 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 52.34 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 52.47 26.07 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.25 125.24 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.5 111.042 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.44 140.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 61.02 111.151 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.3 127.44 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t -104.55 112.79 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.907 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.841 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 61.42 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -123.26 133.15 54.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.895 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.05 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 72.33 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.0 160.99 24.8 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 54.04 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -116.38 145.3 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 63.13 110.847 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 p -125.71 165.56 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 52.25 110.908 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.13 148.33 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.45 111.169 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -76.47 -23.66 53.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.924 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -47.08 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.01 110.876 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -88.46 -14.46 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 48.75 33.33 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.46 136.44 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.01 160.73 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 65.21 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -140.95 122.91 15.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -140.03 163.59 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 75.21 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -108.13 127.71 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 71.43 110.879 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -77.51 176.57 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.13 110.899 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -57.76 -24.14 55.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.875 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.73 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 52.11 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.05 -17.07 57.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.87 154.31 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 63.31 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.23 121.63 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.5 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 111.63 15.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.5 111.128 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -112.02 142.18 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 62.12 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -140.06 151.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 147.89 36.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.833 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.52 156.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.12 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.17 67.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.42 112.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -89.03 9.76 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 64.2 110.89 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.47 161.44 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 64.25 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -17.47 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 70.31 110.89 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -68.35 -33.36 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.62 123.63 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.877 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.12 169.64 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 62.2 110.912 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -98.43 118.7 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 52.42 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.2 -18.45 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.132 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 150.33 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 52.53 110.893 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASN . 7.6 p30 -65.09 167.64 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.899 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' ASP . 2.6 p-10 47.75 26.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.32 110.853 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -169.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 151.07 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.45 110.937 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.1 178.1 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 75.13 110.887 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 140.38 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 40.23 111.112 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 52' ' ' VAL . 26.0 t -141.04 125.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 70.23 111.135 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 132.56 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.852 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -17.78 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 75.33 111.164 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -82.19 -41.24 20.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -103.16 -6.04 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 64.13 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.61 30.34 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.863 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.8 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.31 111.116 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 45' ' ' VAL . 98.3 t -132.56 133.91 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 62.21 111.149 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.9 115.92 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.825 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 p -113.53 141.68 46.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 62.1 110.879 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 73.03 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -116.17 132.79 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.929 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.2 123.26 45.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.12 111.157 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.46 160.54 23.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 72.51 112.491 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 146.49 42.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 73.21 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 14.2 p -124.59 160.23 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.9 t -103.64 155.71 18.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 34.21 111.166 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -85.02 -22.34 29.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.23 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -81.38 -49.78 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -92.38 -13.55 29.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.904 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' THR . 49.3 t-20 49.44 41.89 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.892 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 5.3 pt-20 -127.61 134.3 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.11 168.24 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.851 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 126.18 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -130.97 163.98 26.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 53.55 110.907 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -101.92 118.05 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -76.87 173.99 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -23.92 53.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.881 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.46 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.116 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.18 -17.26 56.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 61.34 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -72.68 150.8 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.21 110.9 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.76 123.21 33.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.824 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -118.29 127.11 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 72.2 111.097 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -111.83 139.18 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -140.75 144.3 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.34 111.178 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 147.78 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 71.54 110.94 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.85 160.73 25.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 54.4 110.889 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.9 66.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.241 . . . . 74.42 112.344 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -90.47 14.38 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.64 143.01 48.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.881 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -18.1 65.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 65.45 110.892 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -67.85 -32.82 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 127.69 5.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 63.35 110.952 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.02 178.7 6.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 65.32 110.953 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.51 118.67 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.894 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -96.04 -31.22 13.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.157 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -140.2 152.98 46.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.922 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -66.23 155.69 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.48 18.07 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.2 110.866 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.63 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.87 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 150.14 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.917 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -145.27 177.51 8.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.12 140.88 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 75.02 111.188 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 52' ' ' VAL . 48.2 t -143.83 125.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 51.13 111.159 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 132.78 56.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.161 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -42.66 32.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.961 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -102.82 -5.3 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 60.35 110.847 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.13 29.92 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 72.21 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.45 146.25 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.06 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 45' ' ' VAL . 95.2 t -132.89 139.0 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 52.15 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.13 120.66 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.889 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.6 m -101.65 140.5 35.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.895 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.35 . . . . 64.34 110.843 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -124.55 133.03 53.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.5 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -101.12 129.81 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.42 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.73 160.86 25.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 70.42 112.493 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -116.42 146.64 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 62.25 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.38 165.58 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 53.22 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 149.71 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 62.35 111.126 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -23.86 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.925 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -47.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -15.17 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 55.31 110.899 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 48.62 33.32 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.827 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -127.13 137.61 53.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.22 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -97.44 164.45 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.28 125.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -138.06 164.04 30.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.24 122.2 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 71.13 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.411 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.43 179.38 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.89 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.74 -36.7 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.845 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.71 -13.34 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 44.23 111.123 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 -17.65 53.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.472 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -63.86 149.52 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.321 . . . . 72.02 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.71 122.82 27.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 72.31 110.894 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 m -118.9 127.15 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 64.23 111.106 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -111.89 126.29 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 54.22 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -130.01 133.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 149.01 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 72.42 110.923 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 m -100.17 158.98 31.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 71.43 110.85 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.35 50.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.649 2.233 . . . . 71.41 112.361 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -87.49 9.73 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 62.05 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -76.9 146.32 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.53 -18.49 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.12 110.899 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -69.17 -32.54 71.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.868 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.03 124.4 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.38 177.47 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.888 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -98.75 118.07 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.12 110.854 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -97.36 -27.5 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.22 111.126 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 165.26 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.24 110.904 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -77.02 160.11 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.63 18.94 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.02 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.929 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 145.42 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.68 178.32 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.44 140.83 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 55.44 111.123 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 52' ' ' VAL . 67.9 t -140.88 124.93 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.34 111.135 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.42 131.27 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.24 110.849 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -17.87 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.139 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.96 -40.79 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.04 110.924 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -103.12 -5.89 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 65.4 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.71 29.55 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.02 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.77 127.54 53.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 65.45 111.136 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 HG13 ' A' ' 45' ' ' VAL . 6.1 m -112.83 144.21 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 54.31 111.085 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.4 124.49 27.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.87 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.48 140.61 36.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.3 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.867 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 72.52 111.088 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 115.93 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.891 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -113.81 133.12 55.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -103.64 129.93 51.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 53.41 111.094 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.82 160.6 25.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 73.51 112.455 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.36 142.09 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 73.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.12 165.51 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 151.37 35.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 71.13 111.137 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -76.73 -23.62 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -47.07 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.855 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -88.52 -15.38 35.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.879 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.4 33.53 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 73.23 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -128.5 136.61 51.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.859 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -96.46 163.52 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 73.24 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 122.89 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -137.44 163.83 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 41.21 110.938 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -104.22 132.54 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.885 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.3 -172.22 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.893 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.68 -14.96 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.54 110.849 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.86 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.05 -11.62 66.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 74.12 112.458 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -84.97 155.12 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 71.33 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -88.38 117.76 27.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 51.44 110.848 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -108.88 133.08 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.02 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -114.56 128.93 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.906 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.44 144.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.01 111.078 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 148.39 51.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 65.35 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 161.5 23.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.741 . . . . 62.23 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.54 30.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 73.14 112.378 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.21 9.53 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.867 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.62 145.23 36.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.858 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -19.29 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.847 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -70.18 -31.96 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -156.26 124.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.5 175.81 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 53.13 110.858 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 82.6 m -99.09 117.86 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.92 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -99.1 -31.84 11.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 71.05 111.167 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.87 159.39 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.89 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.89 155.76 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.902 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.37 21.08 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.34 110.925 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.37 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 71.12 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 144.63 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.898 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -139.44 177.54 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 144.79 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 41.41 111.104 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' VAL . 51.9 t -147.29 125.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.145 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.46 132.49 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 54.43 110.903 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -20.63 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.05 111.146 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.57 -42.78 33.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 64.11 110.926 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -102.56 -5.12 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.929 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 52.3 29.34 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.73 146.58 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.15 111.118 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.452 HG13 HG22 ' A' ' 45' ' ' VAL . 92.8 t -132.88 144.11 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.01 111.145 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.83 117.13 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.832 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.1 t -101.39 136.8 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.874 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.82 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.868 0.366 . . . . 73.12 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 158.75 25.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.02 132.69 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.14 123.17 43.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 65.24 111.151 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.55 161.01 24.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.511 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -116.46 145.23 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 74.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 p -124.57 162.78 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 64.15 110.829 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 150.14 30.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 73.45 111.124 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -23.13 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 55.43 110.89 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -46.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -15.0 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.24 110.894 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 48.71 35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 62.33 110.864 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -131.84 139.89 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.61 168.22 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.62 124.27 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -128.62 163.94 23.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.44 118.36 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.869 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -76.94 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.13 -23.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 43.33 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.5 -14.03 61.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.108 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 -17.4 55.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 75.32 112.453 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.23 152.33 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 72.21 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.24 119.34 30.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 62.02 110.925 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -114.83 133.53 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 55.51 111.137 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -111.91 140.41 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 tt -139.14 145.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 60.45 111.139 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 147.31 53.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.53 110.889 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.81 161.56 23.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 33.2 110.884 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.0 39.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 2.233 . . . . 51.22 112.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -86.5 9.88 16.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.911 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -76.59 145.4 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 74.42 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -18.23 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.84 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -68.84 -32.89 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.33 124.39 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.11 110.876 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.93 173.32 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.885 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 117.32 33.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -98.32 -31.08 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.172 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 159.11 42.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -74.86 158.45 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 72.42 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.82 18.56 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 61.13 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.77 149.75 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -136.26 177.76 7.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 64.35 110.907 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 140.35 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.41 111.108 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 52' ' ' VAL . 93.6 t -141.07 125.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 72.14 111.073 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 132.82 51.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.35 110.93 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.1 -17.23 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 54.33 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -82.43 -41.74 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.928 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -103.09 -5.66 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 74.04 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.91 34.97 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.908 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.71 147.86 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 43.32 111.07 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 45' ' ' VAL . 69.0 t -127.04 142.96 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.44 111.177 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.96 123.19 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.3 m -102.75 140.2 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.904 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.851 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.844 0.354 . . . . 72.14 111.098 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.46 118.15 36.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.859 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.97 133.06 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 t -107.76 129.42 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.35 111.127 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.59 161.03 26.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.778 -0.725 . . . . 63.54 112.509 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.74 43.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 63.1 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.96 163.48 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 42.25 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.33 150.87 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 63.22 111.138 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -76.66 -24.79 53.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.946 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -47.12 11.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.8 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 52.24 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.08 33.41 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.899 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.12 136.05 51.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.851 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.32 165.8 12.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 122.74 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 62.41 110.826 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -138.66 163.7 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.94 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.875 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -76.52 -173.79 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 74.02 110.869 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.16 -37.25 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -72.06 -9.03 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 52.13 111.094 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.98 -4.17 81.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 71.44 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -71.2 137.23 48.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 74.32 110.842 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.79 120.84 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.51 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.5 m -122.01 124.97 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.15 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.84 129.25 56.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.01 110.893 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -132.94 143.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 148.47 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 55.53 110.865 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.8 161.06 25.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 62.32 110.864 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.27 32.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.629 2.219 . . . . 73.44 112.366 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -88.17 9.66 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.921 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.11 146.6 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -18.82 60.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.891 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.43 -32.39 71.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.878 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 124.77 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.12 110.915 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.88 177.43 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.887 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.2 m -98.98 119.6 38.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.7 p -96.32 -31.37 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.12 157.5 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.948 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 8' ' ' THR . 2.3 m-20 -71.88 160.42 32.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 64.22 110.88 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.27 19.43 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.04 110.885 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.03 142.15 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.23 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.866 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 143.89 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.12 111.139 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 52' ' ' VAL . 59.1 t -145.9 124.76 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.157 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.71 131.19 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 62.31 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -18.04 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.121 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -40.37 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -102.93 -5.89 23.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 61.42 110.935 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.84 28.54 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.944 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.58 129.37 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 63.13 111.143 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.955 HG12 HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -122.08 141.84 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.163 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.29 111.95 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 65.23 110.89 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -104.85 133.38 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.871 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.879 0.371 . . . . 73.25 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -96.5 160.23 14.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -136.75 132.78 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.932 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.0 122.33 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 65.51 111.163 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.48 160.91 24.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.492 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -116.45 145.24 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 73.14 110.922 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -127.5 165.59 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.914 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 150.4 35.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.34 111.129 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -75.99 -23.1 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -47.03 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.819 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -15.27 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 72.33 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 48.77 34.62 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -129.67 137.02 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 52.41 110.865 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.43 164.91 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.41 110.887 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.23 124.51 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.914 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -140.09 164.12 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 74.05 110.951 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -97.1 123.34 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.3 110.88 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.53 -172.91 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.917 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.86 -37.13 68.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.877 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -69.61 -11.2 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 53.05 111.095 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.43 -4.67 80.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 30.22 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -72.63 145.27 47.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 72.03 110.875 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.1 119.33 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.845 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -124.96 131.98 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.25 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -111.97 145.95 38.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 53.22 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -145.23 151.66 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.64 146.84 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.886 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.29 160.91 24.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 73.03 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 140.88 43.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 71.43 112.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -87.78 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -77.03 146.13 37.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.914 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -18.16 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.855 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -68.73 -32.79 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.22 124.15 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.876 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.26 173.15 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.9 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.11 118.97 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 63.35 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -99.13 -31.97 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.102 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -135.07 163.0 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.99 158.64 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.846 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.29 18.47 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.07 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.08 147.54 44.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 m -135.7 178.3 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.888 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.74 140.34 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.22 111.123 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 52' ' ' VAL . 99.4 t -148.1 127.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.117 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.0 131.69 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 71.35 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -17.6 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.197 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -40.88 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 55.55 110.918 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -103.26 -5.47 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 52.31 27.95 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.43 123.32 43.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 63.35 111.066 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.34 136.45 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 63.22 111.145 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.84 134.14 32.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m -105.74 147.38 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.42 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.818 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 42.42 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -96.25 119.04 34.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -111.07 132.92 53.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -106.29 129.65 54.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 52.13 111.112 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.42 160.65 26.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 60.25 112.441 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -115.57 144.84 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.53 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 p -123.06 161.92 23.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 41.31 110.913 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.73 150.8 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.03 111.161 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -76.55 -23.39 53.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -83.08 -47.34 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 41.53 110.879 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -15.23 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 48.71 33.19 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.868 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.5 138.02 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 64.34 110.871 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -96.4 150.46 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 60.3 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.75 124.25 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 65.01 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -140.95 163.85 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -111.32 145.15 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.903 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -173.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 63.41 110.899 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.96 -15.38 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.66 -4.67 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.33 111.109 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.56 1.17 81.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 34.3 112.463 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -82.66 130.92 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.5 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.73 121.57 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.851 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.5 m -126.29 112.46 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.185 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -111.66 150.83 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -145.25 148.34 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.173 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 147.21 27.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.926 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.12 158.13 32.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 75.23 110.878 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.8 68.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.34 112.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -87.83 9.73 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 62.34 110.909 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.57 160.95 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 53.52 110.847 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -72.18 -16.98 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.887 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -67.95 -33.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.87 122.76 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -167.46 169.68 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 60.33 110.877 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -98.76 120.14 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -87.61 -32.0 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.03 161.99 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.896 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.49 161.03 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.887 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t30 63.88 15.5 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.865 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.54 151.23 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.864 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.59 177.38 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.73 141.07 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.23 111.174 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.04 125.01 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 60.52 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.74 132.61 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.882 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -17.55 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 70.03 111.133 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -40.97 20.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.924 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -103.23 -6.2 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 54.34 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.61 30.26 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.883 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.22 147.61 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -132.91 136.0 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 63.31 111.16 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.98 116.7 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.861 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -114.34 141.03 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.14 110.9 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.351 . . . . 65.42 111.112 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.47 116.24 22.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.15 110.887 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.17 132.75 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.45 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.02 129.71 45.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 73.53 111.166 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.91 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 51.22 112.477 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -116.12 144.0 44.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 72.54 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -124.36 158.78 31.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.9 151.29 23.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 53.11 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -77.68 -24.18 49.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 50.3 110.862 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -83.49 -47.35 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.846 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -15.61 36.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 47.8 39.3 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.54 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -131.89 133.8 45.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -91.97 167.47 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.15 125.07 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.957 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -130.57 164.06 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 72.22 110.914 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -98.48 121.07 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.903 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -77.51 178.8 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.81 -25.13 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.819 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.6 -12.27 60.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 51.05 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 -16.42 58.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 65.44 112.458 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 157.3 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 72.33 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -95.55 119.77 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 41.51 110.87 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -115.8 129.57 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.157 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -111.83 139.86 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.829 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -138.61 143.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.14 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 147.48 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.2 110.899 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.76 162.66 19.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 74.42 110.898 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.03 34.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 75.4 112.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 9.93 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.15 110.891 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -75.94 140.76 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.03 -18.91 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 61.12 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.37 -32.43 71.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.35 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.21 123.08 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.856 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -167.78 177.99 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.905 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.1 119.54 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 p -96.01 -31.36 13.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.43 111.182 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.17 153.45 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.936 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.43 156.07 38.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 63.44 110.853 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 64.86 14.01 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.28 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 151.75 50.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.879 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.89 177.81 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.73 141.19 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.131 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.612 HG13 HG12 ' A' ' 52' ' ' VAL . 59.0 t -140.21 124.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.54 111.164 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 131.69 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.877 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 -17.04 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.43 111.138 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -45.39 20.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.92 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 1.5 p30 -103.78 -3.49 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 62.41 110.832 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 52.52 33.54 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -105.8 132.94 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.093 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.612 HG12 HG13 ' A' ' 45' ' ' VAL . 4.5 m -117.68 144.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 62.31 111.136 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.24 117.33 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 54.31 110.844 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 m -101.99 135.06 44.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.892 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.846 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 63.25 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.09 136.05 53.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.884 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -121.49 132.85 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.921 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -98.29 129.5 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.02 111.111 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.45 25.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 42.22 112.515 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.68 141.44 48.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 74.34 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -124.34 164.72 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 151.43 35.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 61.25 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -76.56 -23.42 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.889 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.43 -46.96 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.21 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -88.62 -15.46 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.46 33.9 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 71.31 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.21 138.34 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 41.51 110.847 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.1 166.18 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.99 123.36 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -127.42 164.06 22.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.11 110.934 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -106.32 118.67 37.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 51.53 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -77.19 179.74 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.56 -22.97 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 55.2 110.906 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -14.72 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.106 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.35 -17.59 55.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 61.15 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -72.02 148.68 45.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 75.12 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.87 119.98 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -112.33 130.18 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.119 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -111.89 138.7 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.45 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -140.9 142.74 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 62.41 111.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 149.27 50.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.884 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.41 160.94 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 73.42 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.34 112.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 9.81 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.886 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -76.87 145.56 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -17.91 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.875 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -68.78 -32.8 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.35 124.31 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.29 170.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.4 110.864 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.73 117.7 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.86 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -32.32 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.109 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.56 46.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.942 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.74 156.06 39.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.887 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.0 19.28 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.55 110.856 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.22 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 151.05 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.888 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 m -136.78 178.25 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.11 110.873 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.6 140.47 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.53 111.103 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 HG12 ' A' ' 52' ' ' VAL . 61.5 t -137.32 124.97 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.082 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.22 131.79 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.799 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -17.38 37.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 72.3 111.172 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -40.73 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.912 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -103.29 -5.86 22.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.25 110.9 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 51.69 30.03 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.86 134.6 48.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 53.34 111.102 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 HG13 ' A' ' 45' ' ' VAL . 7.8 m -114.44 144.33 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.05 111.167 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.01 124.97 25.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.1 m -102.45 140.66 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 65.04 110.924 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 73.02 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -96.32 143.96 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -128.9 133.08 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.954 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.92 123.09 41.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.102 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 162.32 25.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.43 112.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.46 146.64 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 64.4 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -128.74 163.52 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 71.51 110.838 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -105.74 149.38 26.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 73.51 111.09 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -76.64 -24.38 53.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -47.17 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 55.21 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -86.75 -15.75 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 75.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 48.26 33.71 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.46 130.44 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.89 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.65 161.58 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.4 126.92 23.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 63.11 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CE2' HG21 ' A' ' 45' ' ' VAL . 5.1 p90 -145.83 165.03 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.95 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -97.25 120.57 37.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.22 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.485 HD21 ' HB ' ' A' ' 24' ' ' THR . 3.8 p30 -75.83 169.46 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -26.83 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . -66.9 -13.22 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 53.31 111.109 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 -17.85 54.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 35.24 112.494 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -80.0 145.77 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 74.01 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.84 126.33 30.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.835 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.485 ' HB ' HD21 ' A' ' 18' ' ' ASN . 1.4 t -124.14 150.18 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.118 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -134.14 136.17 43.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.919 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.97 149.91 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.33 111.159 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 145.3 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.927 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.26 150.68 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 71.12 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.43 38.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 72.3 112.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -88.54 9.38 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -77.9 153.62 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.868 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.49 -17.03 63.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -32.1 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.889 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.02 124.2 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.5 110.883 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -166.57 167.13 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.879 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.0 m -99.43 119.86 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 p -84.39 -31.91 24.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 75.24 111.136 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -150.22 167.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.871 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.494 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 p-10 -84.61 156.76 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.868 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.9 12.6 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 73.45 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.78 -170.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 148.94 50.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.878 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -135.77 177.25 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.35 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.03 139.73 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 31.33 111.16 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.691 HG21 ' CE2' ' A' ' 16' ' ' TYR . 68.9 t -148.29 128.91 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 63.1 111.124 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.04 132.3 54.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.897 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -17.82 37.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 64.5 111.125 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -103.2 -5.09 23.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.35 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 52.51 28.03 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.2 110.911 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.57 123.02 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 45.2 111.125 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.481 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.11 137.79 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.144 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -139.38 121.05 15.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.0 m -101.09 139.14 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.876 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 73.5 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.836 0.35 . . . . 74.03 111.102 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.14 121.08 37.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -111.02 132.82 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 124.26 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 72.15 111.111 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.06 161.58 24.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 53.31 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 140.78 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 55.51 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 4.2 p -124.53 165.53 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.904 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.46 151.53 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.54 111.096 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.78 -24.09 52.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 p -82.81 -47.13 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.15 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -87.75 -15.73 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.14 33.97 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 50.2 110.847 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.19 135.52 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.855 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 t -96.37 163.61 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 53.24 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.2 123.93 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.911 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -138.96 164.21 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.45 110.932 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.16 122.2 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 65.04 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -77.2 -178.74 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.909 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -61.95 -23.72 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 61.12 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.65 61.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.061 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.0 -17.08 56.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 44.12 112.474 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -74.14 158.63 33.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 55.12 110.872 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.62 129.11 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.885 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 m -123.21 124.74 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 64.1 111.12 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -111.87 126.21 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -130.34 140.03 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 71.3 111.137 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 150.62 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.22 110.862 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.57 159.01 30.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 50.44 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.57 40.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 75.13 112.364 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -89.0 12.12 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 65.41 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.86 151.16 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 60.24 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -17.09 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 62.33 110.826 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -67.7 -35.04 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 61.44 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.74 127.62 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.894 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.52 177.6 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.923 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 72.9 m -98.39 116.55 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -100.2 -31.64 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.126 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.7 tttm -124.65 162.99 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.912 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.08 151.94 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 65.41 110.834 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.01 17.73 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.888 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 3.1 m-20 -59.09 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.863 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.87 139.87 47.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.844 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 p -130.25 177.35 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 50.54 110.878 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.98 143.7 38.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.1 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 52' ' ' VAL . 70.3 t -145.65 125.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.091 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.71 132.43 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -24.15 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 62.33 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -45.99 27.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.925 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.31 -6.07 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.98 28.17 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.34 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.79 141.16 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 45' ' ' VAL . 98.7 t -133.01 144.04 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.109 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.93 116.3 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 54.33 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 4.6 t -103.82 136.05 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 53.12 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.898 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.815 0.34 . . . . 54.12 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 160.01 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.51 110.963 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -136.86 132.81 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 64.33 110.888 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.18 121.45 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 74.02 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.01 160.75 25.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 54.01 112.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 146.01 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 72.24 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 16.4 p -127.05 165.25 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.874 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.81 151.14 28.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 43.41 111.151 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -76.89 -23.89 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.9 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -83.95 -47.07 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 61.52 110.825 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -15.49 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.36 33.69 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.845 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 4.7 pt-20 -126.42 137.32 53.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 43.03 110.901 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.18 167.31 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -144.3 122.47 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.884 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -141.02 164.07 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -97.16 136.29 37.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -172.14 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.935 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.26 -17.54 58.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 72.15 110.848 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.09 60.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 25.31 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.39 -10.32 69.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 54.41 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -87.74 158.61 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 75.45 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 129.7 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 64.2 110.897 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -125.56 135.49 52.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 62.44 111.121 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.82 138.97 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.939 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 tt -142.07 138.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 148.86 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.41 110.89 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.53 161.92 21.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 73.2 110.854 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.39 47.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 73.21 112.325 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 9.75 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.867 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.62 146.12 38.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -17.49 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 61.33 110.889 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.75 -33.43 73.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 60.11 110.888 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.63 124.34 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.905 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.5 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 61.33 110.907 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.97 116.36 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.885 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.41 -32.91 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.196 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -121.22 148.54 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.96 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.29 152.21 43.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 64.01 110.849 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.13 20.89 12.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 63.54 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 150.74 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 m -136.09 177.81 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.09 140.46 34.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 54.13 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 52' ' ' VAL . 99.2 t -141.61 125.27 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.17 133.09 50.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.851 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 -17.79 39.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.164 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.56 -42.08 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.914 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -102.9 -5.38 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.03 34.92 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.866 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 147.7 28.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 63.24 111.076 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 45' ' ' VAL . 60.7 t -126.96 143.93 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.094 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.12 122.44 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.63 137.83 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 41.52 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 65.35 110.865 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.362 . . . . 54.3 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.13 118.13 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.924 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.0 132.88 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.967 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.98 125.89 44.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 51.1 111.137 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.26 160.82 25.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 72.25 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 145.18 42.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 45.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.31 158.35 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.05 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.61 149.98 23.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 44.22 111.14 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -77.1 -24.56 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.895 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -47.1 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.871 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.18 -15.23 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.861 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.52 32.59 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.895 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -124.11 137.15 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.93 166.09 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.02 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 127.27 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.891 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 45' ' ' VAL . 48.5 p90 -145.34 164.12 32.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.931 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -97.14 126.71 42.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 74.4 110.936 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.464 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.52 -172.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.867 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.87 -37.14 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.848 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -71.12 -10.03 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 63.53 111.091 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.41 -4.52 81.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 51.05 112.487 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -71.83 135.77 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 73.31 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.48 122.29 18.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 51.5 110.909 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -125.47 132.15 52.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.101 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -111.87 127.96 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -130.25 150.88 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 52.2 111.136 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.09 147.85 44.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 70.34 110.878 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.32 162.18 21.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 61.03 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.67 28.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.722 2.281 . . . . 73.53 112.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -87.34 9.71 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 64.25 110.924 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -76.98 148.35 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.09 -18.52 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.51 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -69.2 -32.76 72.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 54.32 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.26 124.72 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.895 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.12 177.99 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.872 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 118.41 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.886 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -96.73 -31.7 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.1 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 1.2 tptt -137.61 150.01 47.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -64.36 158.21 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.82 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t30 63.73 16.52 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 62.4 110.852 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.5 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.876 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 148.67 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -142.86 178.16 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 70.11 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.02 141.07 40.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.131 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 52' ' ' VAL . 92.0 t -137.18 124.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.133 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 131.32 54.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.45 110.893 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.83 -17.65 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.1 111.133 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -40.72 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.02 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.14 -5.91 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 62.24 110.842 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m120 51.73 29.48 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.88 131.59 53.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.13 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 45' ' ' VAL . 7.0 m -113.5 144.53 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 70.25 111.096 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.44 121.86 20.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 148.36 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 54.22 110.881 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 61.52 110.87 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.359 . . . . 72.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -108.77 145.64 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.939 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -118.32 133.1 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.21 122.83 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 52.21 111.111 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.3 160.8 24.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 73.51 112.485 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.09 44.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 64.44 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.61 166.16 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.856 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -116.2 150.96 36.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.167 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.89 -23.06 52.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.907 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.23 -46.86 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 64.15 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -89.57 -14.82 34.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 33.02 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -126.08 137.37 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.23 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -98.0 162.78 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.834 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -143.1 122.22 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -136.1 163.47 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.935 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.55 130.24 53.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.908 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -78.17 173.22 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.34 -22.84 54.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.861 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -8.84 57.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.1 -17.33 56.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.459 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 151.82 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 61.22 110.935 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.14 120.85 37.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -118.89 135.28 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.31 111.151 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.36 135.79 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.889 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -137.89 140.96 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.03 111.107 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 150.2 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.884 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.0 158.21 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 73.41 110.894 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 144.59 54.77 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 73.25 112.373 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 8.76 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.928 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -77.96 145.89 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.833 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.44 -18.66 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.01 110.835 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.54 -31.5 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.66 124.18 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.2 110.893 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -165.86 177.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.889 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.2 m -106.83 118.58 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.14 110.918 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -97.82 -32.39 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.52 111.175 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 161.2 36.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.853 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 3.4 p30 -75.34 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.875 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 21.67 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.949 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 70.12 110.908 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 146.1 39.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.886 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.76 178.47 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.6 141.13 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 111.15 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.7 t -137.78 124.72 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.02 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -113.92 130.75 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.31 110.892 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -18.36 31.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 65.31 111.124 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.922 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -102.95 -5.96 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 61.2 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 51.6 29.34 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 52.21 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.76 135.07 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 65.35 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.25 144.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.01 111.126 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 116.94 20.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 t -101.33 134.25 44.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 74.34 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.858 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.86 0.362 . . . . 71.34 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -130.05 120.94 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -116.95 132.68 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -98.96 129.51 45.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.52 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 162.17 26.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 75.12 112.485 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.04 143.76 45.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 73.15 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.11 159.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 71.4 110.866 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 143.42 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.184 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -75.83 -22.48 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 -50.3 66.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -105.23 -2.77 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 64.43 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 50.09 34.31 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 65.23 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -115.74 146.23 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 t -108.16 155.98 19.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 54.44 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 129.69 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.861 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -148.33 164.26 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.949 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -97.1 141.45 30.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -95.82 -176.93 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -25.29 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.87 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.69 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.12 111.076 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.26 -17.34 56.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 73.22 112.468 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -73.59 151.39 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 71.33 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.22 128.72 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.05 110.871 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -123.87 129.18 50.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.55 111.123 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.9 132.12 54.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -133.3 137.1 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 73.43 111.09 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 151.16 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 72.44 110.897 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.09 161.14 24.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 62.35 110.949 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.96 34.32 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.71 2.274 . . . . 71.24 112.362 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -85.56 8.54 18.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.874 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -78.0 144.86 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -17.72 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.919 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -31.6 70.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -155.86 124.34 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.889 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -166.41 174.0 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 62.31 110.868 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.14 118.96 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.8 p -96.86 -30.44 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 75.51 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -129.84 146.27 51.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.89 154.39 41.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.921 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.82 17.63 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.91 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.882 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 147.81 50.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -141.97 177.12 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 70.23 110.854 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.58 144.89 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.1 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -143.8 125.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 52.34 111.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -115.72 132.25 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 51.43 110.852 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -18.44 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.133 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -41.54 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.905 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -102.94 -5.8 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 51.7 30.16 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.96 147.61 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.13 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.99 143.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 70.21 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.96 130.38 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 44.31 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 43' ' ' CYS . 5.3 m -117.35 132.33 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.924 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.909 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 73.22 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.53 143.12 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 53.34 110.901 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -131.37 132.91 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.24 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.534 HG22 ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -101.79 120.09 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.14 111.17 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 42' ' ' LYS . . . -139.09 158.34 25.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 42.04 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -113.74 147.42 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 64.52 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.78 166.02 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 72.42 110.867 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.75 148.73 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -77.21 -22.68 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -77.74 -47.17 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.851 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -12.71 28.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 49.89 34.02 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -127.38 141.45 51.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.855 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -99.81 162.05 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.12 122.98 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.898 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -133.97 163.96 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -109.62 124.39 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 64.04 110.903 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -77.45 176.54 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -57.67 -23.83 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.31 110.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.1 -14.32 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 72.15 111.101 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.13 -13.77 63.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 52.24 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -69.79 150.16 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.44 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -91.02 120.74 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.905 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -118.99 127.58 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 63.14 111.092 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -112.01 130.06 55.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.78 144.26 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 52.53 111.132 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 149.06 50.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.929 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.85 161.62 23.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.592 0.71 . . . . 73.12 110.868 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 134.2 27.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 63.05 112.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.37 9.52 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 64.35 110.885 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.65 145.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.5 -19.3 56.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -70.43 -31.9 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.62 125.23 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 62.55 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.11 173.95 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.925 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 74.2 m -99.0 116.99 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 44.51 110.866 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -99.82 -31.87 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 45.44 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 152.78 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -75.11 153.39 38.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.88 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 t30 65.55 14.2 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 55.3 110.816 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 179.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 71.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HD3' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.2 135.61 52.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.913 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 p -130.47 177.58 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.41 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.5 142.64 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 41.33 111.134 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -148.04 125.55 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.108 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.42 131.19 54.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 71.51 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -18.92 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 53.51 111.153 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -83.69 -40.17 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.928 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.08 -5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 63.33 110.892 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.2 27.63 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.02 110.881 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.31 123.41 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 p -122.41 140.75 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.34 111.087 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.51 120.4 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 53.01 110.809 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 3.0 t -101.11 132.11 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 64.13 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' HB1' ' OD1' ' A' ' 46' ' ' ASP . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.816 0.341 . . . . 73.41 111.096 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -126.17 123.79 39.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 70.23 110.959 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.06 132.77 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 74.33 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.66 122.67 41.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 61.31 111.186 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.42 161.67 25.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 51.42 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HG2' ' HD3' ' A' ' 42' ' ' LYS . 1.2 mtmt -115.05 137.35 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 73.32 110.928 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.03 163.66 20.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.4 110.896 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.45 147.51 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.35 111.139 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -76.01 -22.24 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 64.11 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -84.2 -47.12 11.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.894 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -89.41 -15.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 48.35 44.1 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.05 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -135.05 127.51 30.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.74 162.92 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 124.26 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -143.57 164.3 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 55.03 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.882 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.506 HD21 ' HB3' ' A' ' 20' ' ' ALA . 1.1 p30 -76.53 -171.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 60.33 110.934 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.31 -37.02 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.2 110.871 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -68.88 -11.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 34.44 111.08 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.38 -2.82 84.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 65.21 112.494 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -77.54 133.31 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 74.22 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 121.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.858 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -125.51 135.37 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.136 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.96 131.56 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.23 143.88 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 53.52 111.148 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 147.05 53.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.909 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.05 158.61 31.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 74.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 137.99 36.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.68 2.253 . . . . 71.42 112.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.94 8.84 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.844 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -78.27 146.78 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 74.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -19.06 48.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.896 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.67 -31.62 68.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 70.34 110.864 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.92 125.24 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.45 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -167.19 179.22 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.858 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.11 119.9 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.854 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 55' ' ' ASP . 3.4 t -96.63 -13.08 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.77 166.0 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 54.41 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 7.2 p-10 -94.56 140.08 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.86 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.01 4.34 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 70.43 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -58.21 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -118.42 151.13 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.864 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.6 177.68 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.864 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.98 140.93 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.169 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 52' ' ' VAL . 84.7 t -143.88 125.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.23 111.125 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' OD1' ' HB1' ' A' ' 1' ' ' ALA . 26.0 t0 -117.96 132.53 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.862 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.55 27.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 72.25 111.154 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -45.48 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -98.17 -5.12 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 52.3 28.88 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.7 142.96 32.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 61.05 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 HG22 ' A' ' 45' ' ' VAL . 96.8 t -132.89 143.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 63.03 111.135 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.15 115.98 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.875 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.68 137.68 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.458 ' C ' HG22 ' A' ' 37' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.857 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.375 . . . . 71.53 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 160.29 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.892 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -115.01 132.91 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.72 120.4 40.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.111 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 161.0 25.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 74.21 112.473 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 146.89 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 74.52 110.917 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 p -124.19 165.33 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.879 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.85 150.45 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 54.01 111.131 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -76.93 -23.36 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -82.49 -47.3 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.3 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -14.43 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.937 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 48.75 33.04 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.895 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.0 142.44 51.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.38 166.91 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 122.73 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -142.15 163.94 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 61.24 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -96.86 141.07 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.53 110.946 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.4 p30 -95.98 -172.08 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.905 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -56.62 -34.99 67.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . -69.88 -11.94 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.05 111.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.87 -5.67 78.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 20.51 112.5 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -75.45 148.95 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 75.43 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.69 121.69 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 53.21 110.936 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -121.98 127.94 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.183 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -111.98 150.29 30.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 72.3 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -152.29 147.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.23 111.119 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 148.12 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.901 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.79 160.03 27.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 62.05 110.868 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.38 65.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 74.51 112.367 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 9.64 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.51 161.22 28.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.33 -17.23 61.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 65.32 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -68.04 -33.44 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.909 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -157.93 123.42 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.14 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -167.02 169.1 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 70.04 110.874 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -98.67 118.51 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.5 -17.69 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.155 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.0 148.25 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.848 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.48 157.25 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.859 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.58 17.35 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -170.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 63.52 110.905 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.43 152.22 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.896 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.24 178.24 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.53 140.51 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.114 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.16 124.7 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.23 130.62 56.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 54.2 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.78 -18.02 32.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 64.32 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.42 -41.08 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.925 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -102.97 -6.07 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 73.33 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.52 29.42 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.919 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.58 131.9 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 51.44 111.083 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.6 m -116.92 141.78 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.144 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.1 115.84 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.901 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 p -112.57 141.97 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.875 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 53.53 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -97.01 117.89 32.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 72.43 110.893 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.08 133.12 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.916 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.99 124.83 50.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.121 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.4 161.53 25.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 62.02 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 143.31 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 72.51 110.911 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.74 165.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.846 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.31 150.77 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.21 111.15 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.1 -23.56 51.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -83.34 -47.42 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.22 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -15.25 36.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 72.32 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 48.2 34.01 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.913 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -126.81 133.39 50.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.7 161.55 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.13 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -139.41 122.63 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.891 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -141.28 163.67 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.93 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -101.72 126.51 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 64.52 110.922 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.416 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.42 179.48 5.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.871 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.82 -36.8 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.828 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.57 -12.98 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.123 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.82 -17.73 53.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 51.13 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.98 133.09 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.34 110.906 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.56 123.03 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 61.24 110.889 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -125.67 133.17 52.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.166 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -116.58 132.44 56.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 65.41 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.04 142.56 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 63.1 111.151 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 148.9 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.926 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.23 161.52 23.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 52.12 110.945 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.38 50.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 75.32 112.354 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 8.52 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -78.56 150.86 32.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 63.22 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -18.88 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.44 -31.81 67.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.9 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.27 125.72 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 65.32 110.899 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -166.56 168.95 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.928 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 90.9 m -98.49 116.72 31.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.909 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 p -100.1 -32.3 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -122.15 146.71 46.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.51 110.896 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' THR . 35.7 m-20 -72.33 150.97 43.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.868 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.44 18.58 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 63.22 110.899 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.882 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 143.13 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 70.32 110.928 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -135.31 177.38 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.2 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.33 144.47 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.174 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.86 124.82 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.159 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.16 130.95 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -17.07 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 71.14 111.138 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.69 -40.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 71.53 110.941 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.35 -5.63 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 52.34 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 52.47 26.07 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.25 125.24 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.5 111.042 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.44 140.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 61.02 111.151 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.3 127.44 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t -104.55 112.79 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.907 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.841 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.845 0.355 . . . . 75.13 111.088 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -113.24 160.24 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.42 110.912 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -123.26 133.15 54.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.895 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.05 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 72.33 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.0 160.99 24.8 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 54.04 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -116.38 145.3 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 63.13 110.847 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 p -125.71 165.56 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 52.25 110.908 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.13 148.33 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.45 111.169 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -76.47 -23.66 53.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.924 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -47.08 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.01 110.876 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -88.46 -14.46 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 48.75 33.33 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.46 136.44 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.01 160.73 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 65.21 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -140.95 122.91 15.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -140.03 163.59 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 75.21 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -108.13 127.71 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 71.43 110.879 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -77.51 176.57 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.13 110.899 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -57.76 -24.14 55.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.875 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.73 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 52.11 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.05 -17.07 57.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.87 154.31 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 63.31 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.23 121.63 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.5 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 111.63 15.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.5 111.128 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -112.02 142.18 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 62.12 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -140.06 151.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 147.89 36.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.833 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.52 156.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.12 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.17 67.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.42 112.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -89.03 9.76 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 64.2 110.89 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.47 161.44 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 64.25 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -17.47 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 70.31 110.89 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -68.35 -33.36 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.62 123.63 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.877 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.12 169.64 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 62.2 110.912 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -98.43 118.7 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 52.42 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.2 -18.45 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.132 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 150.33 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 52.53 110.893 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASN . 7.6 p30 -65.09 167.64 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.899 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' ASP . 2.6 p-10 47.75 26.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.32 110.853 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -169.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 151.07 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.45 110.937 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.1 178.1 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 75.13 110.887 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 140.38 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 40.23 111.112 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 52' ' ' VAL . 26.0 t -141.04 125.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 70.23 111.135 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 132.56 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.852 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -17.78 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 75.33 111.164 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -82.19 -41.24 20.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -103.16 -6.04 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 64.13 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.61 30.34 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.863 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.8 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.31 111.116 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 45' ' ' VAL . 98.3 t -132.56 133.91 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 62.21 111.149 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.9 115.92 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.825 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 p -113.53 141.68 46.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 62.1 110.879 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 74.43 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -97.12 119.63 35.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 73.03 110.918 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -116.17 132.79 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.929 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.2 123.26 45.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.12 111.157 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.46 160.54 23.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 72.51 112.491 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 146.49 42.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 73.21 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 14.2 p -124.59 160.23 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.9 t -103.64 155.71 18.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 34.21 111.166 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -85.02 -22.34 29.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.23 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -81.38 -49.78 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -92.38 -13.55 29.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.904 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' THR . 49.3 t-20 49.44 41.89 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.892 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 5.3 pt-20 -127.61 134.3 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.11 168.24 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.851 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 126.18 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -130.97 163.98 26.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 53.55 110.907 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -101.92 118.05 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -76.87 173.99 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -23.92 53.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.881 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.46 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.116 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.18 -17.26 56.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 61.34 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -72.68 150.8 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.21 110.9 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.76 123.21 33.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.824 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -118.29 127.11 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 72.2 111.097 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -111.83 139.18 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -140.75 144.3 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.34 111.178 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 147.78 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 71.54 110.94 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.85 160.73 25.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 54.4 110.889 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.9 66.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.241 . . . . 74.42 112.344 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -90.47 14.38 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.64 143.01 48.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.881 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -18.1 65.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 65.45 110.892 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -67.85 -32.82 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 127.69 5.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 63.35 110.952 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.02 178.7 6.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 65.32 110.953 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.51 118.67 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.894 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -96.04 -31.22 13.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.157 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -140.2 152.98 46.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.922 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -66.23 155.69 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.48 18.07 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.2 110.866 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.63 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.87 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 150.14 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.917 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -145.27 177.51 8.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.12 140.88 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 75.02 111.188 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 52' ' ' VAL . 48.2 t -143.83 125.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 51.13 111.159 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 132.78 56.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.161 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -42.66 32.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.961 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -102.82 -5.3 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 60.35 110.847 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.13 29.92 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 72.21 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.45 146.25 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.06 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 45' ' ' VAL . 95.2 t -132.89 139.0 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 52.15 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.13 120.66 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.889 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.6 m -101.65 140.5 35.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.895 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.851 0.358 . . . . 61.03 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.77 128.4 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.34 110.843 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -124.55 133.03 53.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.5 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -101.12 129.81 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.42 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.73 160.86 25.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 70.42 112.493 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -116.42 146.64 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 62.25 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.38 165.58 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 53.22 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 149.71 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 62.35 111.126 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -23.86 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.925 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -47.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -15.17 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 55.31 110.899 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 48.62 33.32 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.827 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -127.13 137.61 53.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.22 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -97.44 164.45 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.28 125.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -138.06 164.04 30.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.24 122.2 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 71.13 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.411 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.43 179.38 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.89 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.74 -36.7 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.845 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.71 -13.34 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 44.23 111.123 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 -17.65 53.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.472 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -63.86 149.52 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.321 . . . . 72.02 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.71 122.82 27.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 72.31 110.894 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 m -118.9 127.15 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 64.23 111.106 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -111.89 126.29 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 54.22 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -130.01 133.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 149.01 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 72.42 110.923 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 m -100.17 158.98 31.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 71.43 110.85 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.35 50.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.649 2.233 . . . . 71.41 112.361 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -87.49 9.73 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 62.05 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -76.9 146.32 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.53 -18.49 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.12 110.899 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -69.17 -32.54 71.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.868 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.03 124.4 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.38 177.47 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.888 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -98.75 118.07 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.12 110.854 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -97.36 -27.5 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.22 111.126 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 165.26 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.24 110.904 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -77.02 160.11 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.63 18.94 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.02 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.929 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 145.42 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.68 178.32 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.44 140.83 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 55.44 111.123 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 52' ' ' VAL . 67.9 t -140.88 124.93 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.34 111.135 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.42 131.27 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.24 110.849 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -17.87 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.139 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.96 -40.79 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.04 110.924 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -103.12 -5.89 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 65.4 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.71 29.55 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.02 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.77 127.54 53.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 65.45 111.136 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 HG13 ' A' ' 45' ' ' VAL . 6.1 m -112.83 144.21 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 54.31 111.085 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.4 124.49 27.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.87 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.48 140.61 36.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.3 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.867 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 65.239999999999995 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -113.81 133.12 55.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 74.140000000000001 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -103.64 129.93 51.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 53.409999999999997 111.094 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.82 160.6 25.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 73.510000000000005 112.455 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.36 142.09 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 73.120000000000005 110.888 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.12 165.51 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.140000000000001 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 151.37 35.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 71.129999999999995 111.137 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -76.73 -23.62 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.450000000000003 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -47.07 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.855 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -88.52 -15.38 35.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 74.420000000000002 110.879 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.4 33.53 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -128.5 136.61 51.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.859 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -96.46 163.52 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 73.239999999999995 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 122.89 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.140000000000001 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -137.44 163.83 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 41.210000000000001 110.938 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -104.22 132.54 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.519999999999996 110.885 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.3 -172.22 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 61.240000000000002 110.893 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.68 -14.96 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.540000000000006 110.849 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.86 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.219999999999999 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.05 -11.62 66.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 74.120000000000005 112.458 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -84.97 155.12 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 71.329999999999998 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -88.38 117.76 27.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 51.439999999999998 110.848 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -108.88 133.08 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.019999999999996 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -114.56 128.93 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 110.906 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.44 144.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.010000000000005 111.078 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 148.39 51.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 65.349999999999994 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 161.5 23.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.741 . . . . 62.229999999999997 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.54 30.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 73.140000000000001 112.378 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.21 9.53 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.209999999999994 110.867 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.62 145.23 36.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 110.858 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -19.29 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.847 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -70.18 -31.96 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -156.26 124.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.019999999999996 110.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.5 175.81 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 53.130000000000003 110.858 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 82.6 m -99.09 117.86 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 64.230000000000004 110.92 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -99.1 -31.84 11.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 71.049999999999997 111.167 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.87 159.39 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 71.430000000000007 110.89 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.89 155.76 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.902 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.37 21.08 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.925 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.37 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 71.120000000000005 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 144.63 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.340000000000003 110.898 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -139.44 177.54 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 144.79 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 41.409999999999997 111.104 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' VAL . 51.9 t -147.29 125.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 111.145 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.46 132.49 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 54.43 110.903 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -20.63 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.049999999999997 111.146 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.57 -42.78 33.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 64.109999999999999 110.926 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -102.56 -5.12 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.929 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 52.3 29.34 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.329999999999998 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.73 146.58 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.149999999999999 111.118 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG13 HG22 ' A' ' 45' ' ' VAL . 92.8 t -132.88 144.11 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.010000000000005 111.145 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.83 117.13 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.832 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.1 t -101.39 136.8 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.219999999999999 110.874 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 110.82 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.762 0.315 . . . . 72.109999999999999 110.903 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.02 132.69 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.14 123.17 43.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 65.239999999999995 111.151 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.55 161.01 24.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.727 -0.749 . . . . 74.340000000000003 112.511 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -116.46 145.23 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 74.329999999999998 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 p -124.57 162.78 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 64.150000000000006 110.829 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 150.14 30.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 73.450000000000003 111.124 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -23.13 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 55.43 110.89 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -46.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 74.540000000000006 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -15.0 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.239999999999995 110.894 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 48.71 35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 62.329999999999998 110.864 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -131.84 139.89 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.519999999999996 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.61 168.22 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.62 124.27 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.883 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -128.62 163.94 23.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.44 118.36 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.010000000000005 110.869 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -76.94 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.13 -23.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 43.329999999999998 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.5 -14.03 61.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 111.108 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 -17.4 55.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 75.319999999999993 112.453 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.23 152.33 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 72.209999999999994 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.24 119.34 30.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 62.020000000000003 110.925 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -114.83 133.53 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 55.509999999999998 111.137 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -111.91 140.41 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 tt -139.14 145.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 60.450000000000003 111.139 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 147.31 53.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.530000000000001 110.889 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.81 161.56 23.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 33.200000000000003 110.884 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.0 39.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 2.233 . . . . 51.219999999999999 112.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -86.5 9.88 16.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.911 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -76.59 145.4 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 74.420000000000002 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -18.23 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.84 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -68.84 -32.89 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.33 124.39 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.109999999999999 110.876 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.93 173.32 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.040000000000006 110.885 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 117.32 33.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -98.32 -31.08 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.109999999999999 111.172 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 159.11 42.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -74.86 158.45 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 72.420000000000002 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.82 18.56 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 61.130000000000003 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.77 149.75 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -136.26 177.76 7.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 64.349999999999994 110.907 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 140.35 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.409999999999997 111.108 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 52' ' ' VAL . 93.6 t -141.07 125.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.073 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 132.82 51.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.350000000000001 110.93 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.1 -17.23 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 54.329999999999998 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -82.43 -41.74 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.928 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -103.09 -5.66 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 74.040000000000006 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 51.91 34.97 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.908 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.71 147.86 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 43.32 111.07 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 45' ' ' VAL . 69.0 t -127.04 142.96 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.439999999999998 111.177 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.96 123.19 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.3 m -102.75 140.2 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 74.530000000000001 110.904 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 110.851 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.333 . . . . 75.209999999999994 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.97 133.06 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.010000000000005 110.923 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 t -107.76 129.42 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.349999999999994 111.127 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.59 161.03 26.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.778 -0.725 . . . . 63.539999999999999 112.509 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.74 43.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 63.100000000000001 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.96 163.48 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 42.25 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.33 150.87 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 63.219999999999999 111.138 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -76.66 -24.79 53.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.130000000000003 110.946 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -47.12 11.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.8 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 52.240000000000002 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.08 33.41 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.120000000000005 110.899 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.12 136.05 51.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 74.420000000000002 110.851 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.32 165.8 12.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 122.74 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 62.409999999999997 110.826 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -138.66 163.7 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.94 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.219999999999999 110.875 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -76.52 -173.79 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 74.019999999999996 110.869 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.16 -37.25 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.109999999999999 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -72.06 -9.03 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 52.130000000000003 111.094 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.98 -4.17 81.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 71.439999999999998 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -71.2 137.23 48.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 74.319999999999993 110.842 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.79 120.84 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.510000000000005 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.5 m -122.01 124.97 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 111.15 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.84 129.25 56.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 110.893 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -132.94 143.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 148.47 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 55.530000000000001 110.865 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.8 161.06 25.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 62.32 110.864 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.27 32.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.629 2.219 . . . . 73.439999999999998 112.366 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -88.17 9.66 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.921 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.11 146.6 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.219999999999999 110.892 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -18.82 60.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 110.891 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.43 -32.39 71.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.878 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 124.77 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.119999999999997 110.915 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.88 177.43 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.887 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.2 m -98.98 119.6 38.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.450000000000003 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.7 p -96.32 -31.37 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -137.12 157.5 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.129999999999995 110.948 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 8' ' ' THR . 2.3 m-20 -71.88 160.42 32.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 64.219999999999999 110.88 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.27 19.43 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.885 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -59.62 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.230000000000004 110.912 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.03 142.15 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.23 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.319999999999993 110.866 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 143.89 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.120000000000005 111.139 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 52' ' ' VAL . 59.1 t -145.9 124.76 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.439999999999998 111.157 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.71 131.19 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 62.310000000000002 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -18.04 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.121 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -40.37 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.519999999999996 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -102.93 -5.89 23.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 61.420000000000002 110.935 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.84 28.54 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.219999999999999 110.944 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.58 129.37 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 63.130000000000003 111.143 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.955 HG12 HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -122.08 141.84 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.163 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.29 111.95 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 65.230000000000004 110.89 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -104.85 133.38 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.019999999999996 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.871 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.809 0.337 . . . . 73.430000000000007 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -136.75 132.78 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.932 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.0 122.33 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 65.510000000000005 111.163 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.48 160.91 24.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 73.239999999999995 112.492 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -116.45 145.24 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 73.140000000000001 110.922 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -127.5 165.59 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.914 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 150.4 35.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.129 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -75.99 -23.1 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -47.03 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.430000000000007 110.819 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -15.27 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 72.329999999999998 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 48.77 34.62 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -129.67 137.02 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 52.409999999999997 110.865 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.43 164.91 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.409999999999997 110.887 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.23 124.51 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.914 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -140.09 164.12 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 74.049999999999997 110.951 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -97.1 123.34 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.299999999999997 110.88 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.53 -172.91 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.917 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.86 -37.13 68.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.877 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -69.61 -11.2 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 53.049999999999997 111.095 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.43 -4.67 80.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 30.219999999999999 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -72.63 145.27 47.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 72.030000000000001 110.875 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.1 119.33 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.845 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -124.96 131.98 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.25 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -111.97 145.95 38.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 53.219999999999999 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -145.23 151.66 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.64 146.84 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.530000000000001 110.886 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.29 160.91 24.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 73.030000000000001 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 140.88 43.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 71.430000000000007 112.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -87.78 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -77.03 146.13 37.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.310000000000002 110.914 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -18.16 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.219999999999999 110.855 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -68.73 -32.79 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.22 124.15 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.549999999999997 110.876 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.26 173.15 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.9 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.11 118.97 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 63.350000000000001 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -99.13 -31.97 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.030000000000001 111.102 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -135.07 163.0 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 72.219999999999999 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.99 158.64 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 71.349999999999994 110.846 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.29 18.47 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.07 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.08 147.54 44.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 m -135.7 178.3 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 110.888 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.74 140.34 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.219999999999999 111.123 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 52' ' ' VAL . 99.4 t -148.1 127.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 71.319999999999993 111.117 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.0 131.69 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 71.349999999999994 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -17.6 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 111.197 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -40.88 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 55.549999999999997 110.918 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -103.26 -5.47 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 65.439999999999998 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 52.31 27.95 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.43 123.32 43.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 63.350000000000001 111.066 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.34 136.45 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 111.145 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.84 134.14 32.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 62.119999999999997 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m -105.74 147.38 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.818 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.76 0.314 . . . . 62.240000000000002 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -111.07 132.92 53.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -106.29 129.65 54.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 52.130000000000003 111.112 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.42 160.65 26.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 60.25 112.441 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -115.57 144.84 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.530000000000001 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 p -123.06 161.92 23.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 41.310000000000002 110.913 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.73 150.8 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.030000000000001 111.161 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -76.55 -23.39 53.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 65.430000000000007 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -83.08 -47.34 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 41.530000000000001 110.879 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -15.23 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 48.71 33.19 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.868 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.5 138.02 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 64.340000000000003 110.871 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -96.4 150.46 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 60.299999999999997 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.75 124.25 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 65.010000000000005 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -140.95 163.85 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -111.32 145.15 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.903 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -173.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 63.409999999999997 110.899 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.96 -15.38 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 72.450000000000003 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.66 -4.67 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.329999999999998 111.109 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.56 1.17 81.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 34.299999999999997 112.463 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -82.66 130.92 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.5 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.73 121.57 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.851 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.5 m -126.29 112.46 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.185 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -111.66 150.83 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -145.25 148.34 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.329999999999998 111.173 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 147.21 27.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 110.926 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.12 158.13 32.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 75.230000000000004 110.878 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.8 68.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.340000000000003 112.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -87.83 9.73 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 62.340000000000003 110.909 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.57 160.95 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 53.520000000000003 110.847 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -72.18 -16.98 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 65.310000000000002 110.887 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -67.95 -33.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.87 122.76 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.319999999999993 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -167.46 169.68 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 60.329999999999998 110.877 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -98.76 120.14 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -87.61 -32.0 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.420000000000002 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.03 161.99 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.896 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.49 161.03 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.230000000000004 110.887 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t30 63.88 15.5 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.865 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.54 151.23 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.230000000000004 110.864 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.59 177.38 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 63.210000000000001 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.73 141.07 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.229999999999997 111.174 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.04 125.01 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 60.520000000000003 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.74 132.61 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.340000000000003 110.882 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -17.55 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 70.030000000000001 111.133 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -40.97 20.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.924 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -103.23 -6.2 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 54.340000000000003 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.61 30.26 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.883 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.22 147.61 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -132.91 136.0 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 63.310000000000002 111.16 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.98 116.7 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.209999999999994 110.861 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -114.34 141.03 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.030000000000001 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 110.9 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 72.150000000000006 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.17 132.75 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.450000000000003 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.02 129.71 45.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 73.530000000000001 111.166 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.91 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 51.219999999999999 112.477 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -116.12 144.0 44.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 72.540000000000006 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -124.36 158.78 31.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.9 151.29 23.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 53.109999999999999 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -77.68 -24.18 49.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 50.299999999999997 110.862 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -83.49 -47.35 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 61.210000000000001 110.846 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -15.61 36.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.329999999999998 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 47.8 39.3 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.540000000000006 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -131.89 133.8 45.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -91.97 167.47 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.15 125.07 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 64.340000000000003 110.957 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -130.57 164.06 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 72.219999999999999 110.914 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -98.48 121.07 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.019999999999996 110.903 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -77.51 178.8 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.81 -25.13 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 110.819 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.6 -12.27 60.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 51.049999999999997 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 -16.42 58.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 65.439999999999998 112.458 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 157.3 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 72.329999999999998 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -95.55 119.77 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 41.509999999999998 110.87 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -115.8 129.57 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 111.157 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -111.83 139.86 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.310000000000002 110.829 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -138.61 143.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.140000000000001 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 147.48 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 110.899 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.76 162.66 19.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 74.420000000000002 110.898 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.03 34.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 75.400000000000006 112.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 9.93 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.150000000000006 110.891 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -75.94 140.76 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.03 -18.91 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 61.119999999999997 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.37 -32.43 71.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.349999999999994 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.21 123.08 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.349999999999994 110.856 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -167.78 177.99 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.905 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.1 119.54 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 p -96.01 -31.36 13.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 111.182 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.17 153.45 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.936 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.43 156.07 38.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 63.439999999999998 110.853 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 64.86 14.01 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 62.439999999999998 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.28 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 72.140000000000001 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 151.75 50.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.879 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.89 177.81 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.73 141.19 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.131 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.612 HG13 HG12 ' A' ' 52' ' ' VAL . 59.0 t -140.21 124.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.540000000000006 111.164 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 131.69 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 62.340000000000003 110.877 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 -17.04 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.138 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -45.39 20.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.92 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 1.5 p30 -103.78 -3.49 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 62.409999999999997 110.832 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 52.52 33.54 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -105.8 132.94 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.230000000000004 111.093 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.612 HG12 HG13 ' A' ' 45' ' ' VAL . 4.5 m -117.68 144.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 62.310000000000002 111.136 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.24 117.33 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 54.310000000000002 110.844 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 m -101.99 135.06 44.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.892 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.846 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.739 0.304 . . . . 73.209999999999994 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -121.49 132.85 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 64.140000000000001 110.921 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -98.29 129.5 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.019999999999996 111.111 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.45 25.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 42.219999999999999 112.515 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.68 141.44 48.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 74.340000000000003 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -124.34 164.72 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 151.43 35.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 61.25 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -76.56 -23.42 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.400000000000006 110.889 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.43 -46.96 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.209999999999994 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -88.62 -15.46 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.299999999999997 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.46 33.9 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.21 138.34 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 41.509999999999998 110.847 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.1 166.18 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.99 123.36 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -127.42 164.06 22.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.109999999999999 110.934 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -106.32 118.67 37.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 51.530000000000001 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -77.19 179.74 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 71.129999999999995 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.56 -22.97 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 55.200000000000003 110.906 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -14.72 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.140000000000001 111.106 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.35 -17.59 55.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 61.149999999999999 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -72.02 148.68 45.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 75.120000000000005 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.87 119.98 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 63.149999999999999 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -112.33 130.18 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.040000000000006 111.119 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -111.89 138.7 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -140.9 142.74 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 62.409999999999997 111.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 149.27 50.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 74.319999999999993 110.884 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.41 160.94 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 73.420000000000002 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.340000000000003 112.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 9.81 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 63.200000000000003 110.886 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -76.87 145.56 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.120000000000005 110.861 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -17.91 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.875 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -68.78 -32.8 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.35 124.31 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.29 170.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.400000000000006 110.864 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.73 117.7 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.86 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -32.32 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 111.109 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.56 46.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 63.310000000000002 110.942 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.74 156.06 39.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.887 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.0 19.28 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.549999999999997 110.856 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.22 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.420000000000002 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 151.05 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.888 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 m -136.78 178.25 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.109999999999999 110.873 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.6 140.47 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.530000000000001 111.103 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 HG12 ' A' ' 52' ' ' VAL . 61.5 t -137.32 124.97 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.439999999999998 111.082 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.22 131.79 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.799 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -17.38 37.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 111.172 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -40.73 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.912 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -103.29 -5.86 22.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.25 110.9 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 51.69 30.03 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.219999999999999 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.86 134.6 48.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 53.340000000000003 111.102 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 HG13 ' A' ' 45' ' ' VAL . 7.8 m -114.44 144.33 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.049999999999997 111.167 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.01 124.97 25.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.129999999999995 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.1 m -102.45 140.66 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.924 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.788 0.328 . . . . 75.510000000000005 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -128.9 133.08 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.954 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.92 123.09 41.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 75.329999999999998 111.102 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 162.32 25.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.430000000000007 112.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.46 146.64 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 64.400000000000006 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -128.74 163.52 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 71.510000000000005 110.838 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -105.74 149.38 26.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 111.09 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -76.64 -24.38 53.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.349999999999994 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -47.17 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 55.210000000000001 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -86.75 -15.75 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 75.530000000000001 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 48.26 33.71 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.010000000000005 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.46 130.44 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.430000000000007 110.89 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.65 161.58 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.219999999999999 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.4 126.92 23.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 63.109999999999999 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CE2' HG21 ' A' ' 45' ' ' VAL . 5.1 p90 -145.83 165.03 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.95 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -97.25 120.57 37.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.219999999999999 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.616 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -75.83 169.46 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.875 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -26.83 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . . . -66.9 -13.22 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 53.310000000000002 111.109 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 -17.85 54.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 35.240000000000002 112.494 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -80.0 145.77 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 74.010000000000005 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.84 126.33 30.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.835 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -124.14 150.18 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.118 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -134.14 136.17 43.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.200000000000003 110.919 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.97 149.91 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 111.159 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 145.3 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.519999999999996 110.927 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.26 150.68 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 71.120000000000005 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.43 38.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 72.299999999999997 112.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -88.54 9.38 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 61.119999999999997 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -77.9 153.62 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 110.868 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.49 -17.03 63.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 70.329999999999998 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -32.1 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.129999999999995 110.889 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.02 124.2 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.5 110.883 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -166.57 167.13 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.129999999999995 110.879 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.0 m -99.43 119.86 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.510000000000005 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 p -84.39 -31.91 24.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 75.239999999999995 111.136 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -150.22 167.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.219999999999999 110.871 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.494 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 p-10 -84.61 156.76 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.868 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.9 12.6 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.78 -170.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 148.94 50.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.878 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -135.77 177.25 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.350000000000001 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.03 139.73 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 31.329999999999998 111.16 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.691 HG21 ' CE2' ' A' ' 16' ' ' TYR . 68.9 t -148.29 128.91 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 63.100000000000001 111.124 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.04 132.3 54.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 110.897 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -17.82 37.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 64.5 111.125 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 64.140000000000001 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -103.2 -5.09 23.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.350000000000001 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 52.51 28.03 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.200000000000003 110.911 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.57 123.02 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 45.200000000000003 111.125 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.481 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.11 137.79 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 111.144 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -139.38 121.05 15.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.0 m -101.09 139.14 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.129999999999995 110.876 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 73.5 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.326 . . . . 74.109999999999999 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -111.02 132.82 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 124.26 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 72.150000000000006 111.111 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.06 161.58 24.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 53.310000000000002 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 140.78 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 55.509999999999998 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 4.2 p -124.53 165.53 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 64.239999999999995 110.904 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.46 151.53 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.539999999999999 111.096 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.78 -24.09 52.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 61.130000000000003 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 p -82.81 -47.13 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.149999999999999 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -87.75 -15.73 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.14 33.97 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 50.200000000000003 110.847 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.19 135.52 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.855 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 t -96.37 163.61 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 53.240000000000002 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.2 123.93 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 71.510000000000005 110.911 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -138.96 164.21 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.450000000000003 110.932 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.16 122.2 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 65.040000000000006 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -77.2 -178.74 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 65.340000000000003 110.909 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -61.95 -23.72 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 61.119999999999997 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.65 61.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.061 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.0 -17.08 56.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 44.119999999999997 112.474 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -74.14 158.63 33.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 55.119999999999997 110.872 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.62 129.11 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.885 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 m -123.21 124.74 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 64.099999999999994 111.12 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -111.87 126.21 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -130.34 140.03 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 71.299999999999997 111.137 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 150.62 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.219999999999999 110.862 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.57 159.01 30.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 50.439999999999998 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.57 40.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 75.129999999999995 112.364 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -89.0 12.12 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 65.409999999999997 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.86 151.16 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 60.240000000000002 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -17.09 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 62.329999999999998 110.826 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -67.7 -35.04 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 61.439999999999998 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.74 127.62 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 64.120000000000005 110.894 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.52 177.6 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 110.923 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 72.9 m -98.39 116.55 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 71.230000000000004 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -100.2 -31.64 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 111.126 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.7 tttm -124.65 162.99 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.912 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.08 151.94 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 65.409999999999997 110.834 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.01 17.73 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 110.888 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 3.1 m-20 -59.09 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 110.863 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.87 139.87 47.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 110.844 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 p -130.25 177.35 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 50.539999999999999 110.878 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.98 143.7 38.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.099999999999994 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 52' ' ' VAL . 70.3 t -145.65 125.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 111.091 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.71 132.43 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -24.15 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 62.329999999999998 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -45.99 27.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 72.340000000000003 110.925 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.31 -6.07 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 71.019999999999996 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.98 28.17 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.79 141.16 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 45' ' ' VAL . 98.7 t -133.01 144.04 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 75.409999999999997 111.109 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.93 116.3 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 54.329999999999998 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 4.6 t -103.82 136.05 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 53.119999999999997 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.898 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.768 0.318 . . . . 65.510000000000005 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -136.86 132.81 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 64.329999999999998 110.888 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.18 121.45 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 74.019999999999996 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.01 160.75 25.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 54.009999999999998 112.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 146.01 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 72.239999999999995 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 16.4 p -127.05 165.25 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.874 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.81 151.14 28.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 43.409999999999997 111.151 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -76.89 -23.89 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.399999999999999 110.9 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -83.95 -47.07 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 61.520000000000003 110.825 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -15.49 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.340000000000003 110.917 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.36 33.69 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.019999999999996 110.845 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 4.7 pt-20 -126.42 137.32 53.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 43.030000000000001 110.901 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.18 167.31 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.120000000000005 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -144.3 122.47 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 110.884 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -141.02 164.07 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.439999999999998 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -97.16 136.29 37.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.120000000000005 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -172.14 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 62.200000000000003 110.935 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.26 -17.54 58.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 72.150000000000006 110.848 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.09 60.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 25.309999999999999 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.39 -10.32 69.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 54.409999999999997 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -87.74 158.61 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 75.450000000000003 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 129.7 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 64.200000000000003 110.897 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -125.56 135.49 52.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 62.439999999999998 111.121 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.82 138.97 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 73.239999999999995 110.939 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 tt -142.07 138.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.129999999999995 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 148.86 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.409999999999997 110.89 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.53 161.92 21.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 73.200000000000003 110.854 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.39 47.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 73.209999999999994 112.325 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 9.75 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.867 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.62 146.12 38.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.209999999999994 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -17.49 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 61.329999999999998 110.889 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.75 -33.43 73.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 60.109999999999999 110.888 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.63 124.34 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.905 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.5 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 61.329999999999998 110.907 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.97 116.36 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.885 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.41 -32.91 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 111.196 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -121.22 148.54 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.96 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.29 152.21 43.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 64.010000000000005 110.849 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.13 20.89 12.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 63.539999999999999 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 150.74 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 m -136.09 177.81 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.09 140.46 34.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 54.130000000000003 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 52' ' ' VAL . 99.2 t -141.61 125.27 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.17 133.09 50.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.851 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 -17.79 39.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 111.164 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.56 -42.08 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.299999999999997 110.914 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -102.9 -5.38 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.03 34.92 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 110.866 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 147.7 28.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 111.076 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 45' ' ' VAL . 60.7 t -126.96 143.93 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.530000000000001 111.094 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.12 122.44 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 64.209999999999994 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.63 137.83 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 41.520000000000003 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 65.349999999999994 110.865 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.331 . . . . 61.43 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.0 132.88 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.967 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.98 125.89 44.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 51.100000000000001 111.137 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.26 160.82 25.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 72.25 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 145.18 42.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 45.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.31 158.35 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.049999999999997 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.61 149.98 23.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 44.219999999999999 111.14 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -77.1 -24.56 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 64.310000000000002 110.895 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -47.1 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.871 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.18 -15.23 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.861 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.52 32.59 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.420000000000002 110.895 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -124.11 137.15 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.93 166.09 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.020000000000003 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 127.27 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 63.329999999999998 110.891 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 45' ' ' VAL . 48.5 p90 -145.34 164.12 32.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.931 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -97.14 126.71 42.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 74.400000000000006 110.936 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.464 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.52 -172.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.219999999999999 110.867 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.87 -37.14 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 71.140000000000001 110.848 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -71.12 -10.03 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 63.530000000000001 111.091 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.41 -4.52 81.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 51.049999999999997 112.487 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -71.83 135.77 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 73.310000000000002 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.48 122.29 18.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 51.5 110.909 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -125.47 132.15 52.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.101 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -111.87 127.96 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -130.25 150.88 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 52.200000000000003 111.136 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.09 147.85 44.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 70.340000000000003 110.878 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.32 162.18 21.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 61.030000000000001 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.67 28.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.722 2.281 . . . . 73.530000000000001 112.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -87.34 9.71 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 64.25 110.924 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -76.98 148.35 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.329999999999998 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.09 -18.52 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.510000000000005 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -69.2 -32.76 72.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 54.32 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.26 124.72 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 110.895 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.12 177.99 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 64.049999999999997 110.872 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 118.41 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.219999999999999 110.886 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -96.73 -31.7 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.099999999999994 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 1.2 tptt -137.61 150.01 47.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.450000000000003 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -64.36 158.21 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.82 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t30 63.73 16.52 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 110.852 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.5 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.876 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 148.67 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.129999999999995 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -142.86 178.16 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 70.109999999999999 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.02 141.07 40.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 111.131 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 52' ' ' VAL . 92.0 t -137.18 124.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 111.133 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 131.32 54.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.450000000000003 110.893 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.83 -17.65 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.099999999999994 111.133 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -40.72 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.019999999999996 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.14 -5.91 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 62.240000000000002 110.842 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m120 51.73 29.48 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.88 131.59 53.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.129999999999995 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 45' ' ' VAL . 7.0 m -113.5 144.53 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 70.25 111.096 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.44 121.86 20.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 148.36 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 54.219999999999999 110.881 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 61.520000000000003 110.87 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.78 0.324 . . . . 65.219999999999999 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -118.32 133.1 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.21 122.83 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 52.210000000000001 111.111 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.3 160.8 24.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 73.510000000000005 112.485 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.09 44.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 64.439999999999998 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.61 166.16 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 65.409999999999997 110.856 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -116.2 150.96 36.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.209999999999994 111.167 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.89 -23.06 52.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.907 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.23 -46.86 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 64.150000000000006 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -89.57 -14.82 34.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 33.02 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -126.08 137.37 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.230000000000004 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -98.0 162.78 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.834 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -143.1 122.22 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -136.1 163.47 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 72.409999999999997 110.935 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.55 130.24 53.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.908 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -78.17 173.22 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.349999999999994 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.34 -22.84 54.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.861 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -8.84 57.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.1 -17.33 56.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.010000000000005 112.459 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 151.82 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 61.219999999999999 110.935 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.14 120.85 37.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -118.89 135.28 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 111.151 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.36 135.79 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.889 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -137.89 140.96 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.030000000000001 111.107 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 150.2 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 110.884 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.0 158.21 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 73.409999999999997 110.894 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 144.59 54.77 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 73.25 112.373 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 8.76 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.120000000000005 110.928 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -77.96 145.89 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.833 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.44 -18.66 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 110.835 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.54 -31.5 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.66 124.18 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 110.893 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -165.86 177.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 110.889 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.2 m -106.83 118.58 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.140000000000001 110.918 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -97.82 -32.39 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.520000000000003 111.175 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 161.2 36.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.230000000000004 110.853 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 3.4 p30 -75.34 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.875 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 21.67 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.400000000000006 110.949 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 70.120000000000005 110.908 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 146.1 39.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.886 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.76 178.47 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.120000000000005 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.6 141.13 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.420000000000002 111.15 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.7 t -137.78 124.72 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.019999999999996 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -113.92 130.75 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.310000000000002 110.892 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -18.36 31.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 65.310000000000002 111.124 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 110.922 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -102.95 -5.96 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 61.200000000000003 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 51.6 29.34 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 52.210000000000001 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.76 135.07 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 65.349999999999994 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.25 144.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.010000000000005 111.126 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 116.94 20.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 t -101.33 134.25 44.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 74.340000000000003 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.858 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.353 . . . . 71.319999999999993 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -116.95 132.68 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.230000000000004 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -98.96 129.51 45.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 162.17 26.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 75.120000000000005 112.485 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.04 143.76 45.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 73.150000000000006 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.11 159.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 71.400000000000006 110.866 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 143.42 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 111.184 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -75.83 -22.48 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 -50.3 66.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.319999999999993 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -105.23 -2.77 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 64.430000000000007 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 50.09 34.31 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 65.230000000000004 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -115.74 146.23 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 t -108.16 155.98 19.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 54.439999999999998 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 129.69 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.861 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -148.33 164.26 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.409999999999997 110.949 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -97.1 141.45 30.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 71.420000000000002 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -95.82 -176.93 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.835 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -25.29 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 64.439999999999998 110.87 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.69 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 111.076 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.26 -17.34 56.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 73.219999999999999 112.468 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -73.59 151.39 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 71.329999999999998 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.22 128.72 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.049999999999997 110.871 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -123.87 129.18 50.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.549999999999997 111.123 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.9 132.12 54.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -133.3 137.1 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.09 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 151.16 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 72.439999999999998 110.897 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.09 161.14 24.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 62.350000000000001 110.949 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.96 34.32 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.71 2.274 . . . . 71.239999999999995 112.362 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -85.56 8.54 18.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.239999999999995 110.874 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -78.0 144.86 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -17.72 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 110.919 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -31.6 70.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.140000000000001 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -155.86 124.34 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.889 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -166.41 174.0 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 62.310000000000002 110.868 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.14 118.96 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.8 p -96.86 -30.44 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 75.510000000000005 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 20.3 tttm -129.84 146.27 51.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 71.420000000000002 110.901 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.89 154.39 41.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.921 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.82 17.63 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.299999999999997 110.91 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.2 m-20 -59.16 -171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.882 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 147.81 50.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 73.310000000000002 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -141.97 177.12 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 70.230000000000004 110.854 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.58 144.89 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.099999999999994 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -143.8 125.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 52.340000000000003 111.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -115.72 132.25 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 51.43 110.852 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -18.44 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.133 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -41.54 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -102.94 -5.8 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 64.409999999999997 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 51.7 30.16 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 63.229999999999997 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.96 147.61 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.99 143.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 70.209999999999994 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.96 130.38 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 44.310000000000002 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 43' ' ' CYS . 5.3 m -117.35 132.33 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 110.924 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 71.200000000000003 110.909 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.806 0.336 . . . . 53.340000000000003 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -131.37 132.91 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.240000000000002 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.534 HG22 ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -101.79 120.09 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.140000000000001 111.17 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 42' ' ' LYS . . . -139.09 158.34 25.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 42.039999999999999 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -113.74 147.42 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 64.519999999999996 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.78 166.02 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 72.420000000000002 110.867 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.75 148.73 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -77.21 -22.68 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -77.74 -47.17 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.851 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -12.71 28.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.030000000000001 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 49.89 34.02 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -127.38 141.45 51.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.855 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -99.81 162.05 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 72.349999999999994 110.892 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.12 122.98 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 70.340000000000003 110.898 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -133.97 163.96 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 70.239999999999995 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -109.62 124.39 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 64.040000000000006 110.903 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -77.45 176.54 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 72.019999999999996 110.905 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -57.67 -23.83 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.310000000000002 110.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.1 -14.32 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 72.150000000000006 111.101 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.13 -13.77 63.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -69.79 150.16 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -91.02 120.74 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.905 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -118.99 127.58 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 63.140000000000001 111.092 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -112.01 130.06 55.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.78 144.26 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 52.530000000000001 111.132 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 149.06 50.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.929 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.85 161.62 23.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.592 0.71 . . . . 73.120000000000005 110.868 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 134.2 27.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 63.049999999999997 112.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.37 9.52 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.885 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.65 145.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.5 -19.3 56.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 60.219999999999999 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -70.43 -31.9 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.109999999999999 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.62 125.23 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 62.549999999999997 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.11 173.95 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.925 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 74.2 m -99.0 116.99 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 44.509999999999998 110.866 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -99.82 -31.87 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 45.439999999999998 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.493 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -124.35 152.78 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.862 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -75.11 153.39 38.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.420000000000002 110.88 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 t30 65.55 14.2 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 55.299999999999997 110.816 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.9 m-20 -55.47 179.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 71.099999999999994 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HD3' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.2 135.61 52.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 71.120000000000005 110.913 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 p -130.47 177.58 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.409999999999997 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.5 142.64 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 41.329999999999998 111.134 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -148.04 125.55 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 111.108 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.42 131.19 54.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 71.510000000000005 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -18.92 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 53.509999999999998 111.153 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -83.69 -40.17 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.349999999999994 110.928 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.08 -5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 63.329999999999998 110.892 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 52.2 27.63 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.019999999999996 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.31 123.41 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 p -122.41 140.75 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.340000000000003 111.087 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.51 120.4 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 53.009999999999998 110.809 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 3.0 t -101.11 132.11 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.230000000000004 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.793 0.33 . . . . 70.230000000000004 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.06 132.77 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 74.329999999999998 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.66 122.67 41.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 61.310000000000002 111.186 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.42 161.67 25.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 51.420000000000002 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HG2' ' HD3' ' A' ' 42' ' ' LYS . 1.2 mtmt -115.05 137.35 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 73.319999999999993 110.928 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.03 163.66 20.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.400000000000006 110.896 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.45 147.51 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.350000000000001 111.139 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -76.01 -22.24 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 64.109999999999999 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -84.2 -47.12 11.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.894 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -89.41 -15.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.030000000000001 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 48.35 44.1 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.049999999999997 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -135.05 127.51 30.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.74 162.92 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.140000000000001 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 124.26 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -143.57 164.3 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 55.030000000000001 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.882 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.506 HD21 ' HB3' ' A' ' 20' ' ' ALA . 1.1 p30 -76.53 -171.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 60.329999999999998 110.934 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.31 -37.02 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.200000000000003 110.871 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -68.88 -11.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 34.439999999999998 111.08 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.38 -2.82 84.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 65.209999999999994 112.494 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -77.54 133.31 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 74.219999999999999 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 121.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 110.858 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -125.51 135.37 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 111.136 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.96 131.56 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.23 143.88 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 53.520000000000003 111.148 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 147.05 53.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 72.329999999999998 110.909 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.05 158.61 31.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 74.409999999999997 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 137.99 36.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.68 2.253 . . . . 71.420000000000002 112.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.94 8.84 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.540000000000006 110.844 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -78.27 146.78 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 74.409999999999997 110.887 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -19.06 48.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 110.896 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.67 -31.62 68.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 70.340000000000003 110.864 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.92 125.24 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.450000000000003 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -167.19 179.22 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.858 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.11 119.9 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 110.854 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 55' ' ' ASP . 3.4 t -96.63 -13.08 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.129999999999995 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.77 166.0 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 54.409999999999997 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 7.2 p-10 -94.56 140.08 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 110.86 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.01 4.34 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 70.430000000000007 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -58.21 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -118.42 151.13 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.864 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.6 177.68 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.239999999999995 110.864 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.98 140.93 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 111.169 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 52' ' ' VAL . 84.7 t -143.88 125.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.230000000000004 111.125 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -117.96 132.53 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.55 27.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 72.25 111.154 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -45.48 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -98.17 -5.12 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 52.3 28.88 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.319999999999993 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.7 142.96 32.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 61.049999999999997 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 HG22 ' A' ' 45' ' ' VAL . 96.8 t -132.89 143.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 63.030000000000001 111.135 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.15 115.98 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.875 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.68 137.68 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.458 ' C ' HG22 ' A' ' 37' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.857 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 75.510000000000005 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -115.01 132.91 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.150000000000006 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.72 120.4 40.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 71.409999999999997 111.111 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 161.0 25.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 74.209999999999994 112.473 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 146.89 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 74.519999999999996 110.917 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 p -124.19 165.33 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.879 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.85 150.45 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 54.009999999999998 111.131 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -76.93 -23.36 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -82.49 -47.3 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.299999999999997 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -14.43 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 110.937 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 48.75 33.04 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.895 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.0 142.44 51.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.38 166.91 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 122.73 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.879 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -142.15 163.94 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 61.240000000000002 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -96.86 141.07 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.530000000000001 110.946 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.4 p30 -95.98 -172.08 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.905 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -56.62 -34.99 67.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.866 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . -69.88 -11.94 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.049999999999997 111.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.87 -5.67 78.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 20.510000000000002 112.5 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -75.45 148.95 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 75.430000000000007 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.69 121.69 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 53.210000000000001 110.936 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -121.98 127.94 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 73.530000000000001 111.183 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -111.98 150.29 30.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 72.299999999999997 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -152.29 147.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.230000000000004 111.119 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 148.12 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.549999999999997 110.901 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.79 160.03 27.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 62.049999999999997 110.868 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.38 65.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 74.510000000000005 112.367 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 9.64 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.200000000000003 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.51 161.22 28.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.33 -17.23 61.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 65.319999999999993 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -68.04 -33.44 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 63.229999999999997 110.909 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -157.93 123.42 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.140000000000001 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -167.02 169.1 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 70.040000000000006 110.874 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -98.67 118.51 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 65.420000000000002 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.5 -17.69 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.510000000000005 111.155 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.0 148.25 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.848 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.48 157.25 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.140000000000001 110.859 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.58 17.35 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -170.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 63.520000000000003 110.905 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.43 152.22 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 110.896 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.24 178.24 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.53 140.51 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 65.319999999999993 111.114 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.16 124.7 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.23 130.62 56.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 54.200000000000003 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.78 -18.02 32.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 64.319999999999993 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.42 -41.08 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.925 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -102.97 -6.07 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 73.329999999999998 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.52 29.42 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.919 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.58 131.9 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 51.439999999999998 111.083 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.6 m -116.92 141.78 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.144 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.1 115.84 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 110.901 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 p -112.57 141.97 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.340000000000003 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 110.875 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.806 0.336 . . . . 72.430000000000007 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.08 133.12 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.916 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.99 124.83 50.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 73.439999999999998 111.121 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.4 161.53 25.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 62.020000000000003 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 143.31 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 72.510000000000005 110.911 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.74 165.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 110.846 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.31 150.77 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.209999999999994 111.15 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.1 -23.56 51.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -83.34 -47.42 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.219999999999999 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -15.25 36.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 72.319999999999993 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 48.2 34.01 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 71.349999999999994 110.913 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -126.81 133.39 50.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.140000000000001 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.7 161.55 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.129999999999995 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -139.41 122.63 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.409999999999997 110.891 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -141.28 163.67 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 64.219999999999999 110.93 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -101.72 126.51 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 64.519999999999996 110.922 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.416 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.42 179.48 5.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.871 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.82 -36.8 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 110.828 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.57 -12.98 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.109999999999999 111.123 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.82 -17.73 53.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 51.130000000000003 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.98 133.09 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.340000000000003 110.906 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.56 123.03 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 61.240000000000002 110.889 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -125.67 133.17 52.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 111.166 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -116.58 132.44 56.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 65.409999999999997 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.04 142.56 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 63.100000000000001 111.151 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 148.9 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.926 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.23 161.52 23.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 52.119999999999997 110.945 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.38 50.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 75.319999999999993 112.354 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 8.52 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.310000000000002 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -78.56 150.86 32.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 63.219999999999999 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -18.88 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.329999999999998 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.44 -31.81 67.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.9 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.27 125.72 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 65.319999999999993 110.899 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -166.56 168.95 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 110.928 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 90.9 m -98.49 116.72 31.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.329999999999998 110.909 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 p -100.1 -32.3 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.513 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.1 ttmt -122.15 146.71 46.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.510000000000005 110.896 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' THR . 35.7 m-20 -72.33 150.97 43.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.310000000000002 110.868 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.44 18.58 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 63.219999999999999 110.899 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 2.0 m-20 -58.62 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 110.882 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 143.13 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 110.928 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -135.31 177.38 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.33 144.47 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.209999999999994 111.174 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.86 124.82 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.329999999999998 111.159 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.16 130.95 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -17.07 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 71.140000000000001 111.138 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.69 -40.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 71.530000000000001 110.941 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.35 -5.63 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 52.340000000000003 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 52.47 26.07 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.540000000000006 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.25 125.24 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.5 111.042 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.44 140.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 61.020000000000003 111.151 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.3 127.44 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.040000000000006 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t -104.55 112.79 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.129999999999995 110.907 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 110.841 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 61.420000000000002 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -123.26 133.15 54.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.450000000000003 110.895 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.05 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 72.329999999999998 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.0 160.99 24.8 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 54.039999999999999 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -116.38 145.3 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 63.130000000000003 110.847 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 p -125.71 165.56 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 52.25 110.908 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.13 148.33 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.450000000000003 111.169 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -76.47 -23.66 53.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.510000000000005 110.924 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -47.08 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 110.876 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -88.46 -14.46 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 48.75 33.33 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 72.109999999999999 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.46 136.44 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.340000000000003 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.01 160.73 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 65.209999999999994 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -140.95 122.91 15.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -140.03 163.59 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 75.209999999999994 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -108.13 127.71 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 71.430000000000007 110.879 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -77.51 176.57 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.129999999999995 110.899 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -57.76 -24.14 55.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.875 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.73 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 52.109999999999999 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.05 -17.07 57.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 74.120000000000005 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.87 154.31 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 63.310000000000002 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.23 121.63 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.5 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 111.63 15.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.5 111.128 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -112.02 142.18 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -140.06 151.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.420000000000002 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 147.89 36.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.833 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.52 156.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.120000000000005 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.17 67.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.420000000000002 112.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -89.03 9.76 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 64.200000000000003 110.89 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.47 161.44 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 64.25 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -17.47 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 70.310000000000002 110.89 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -68.35 -33.36 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.62 123.63 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.230000000000004 110.877 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.12 169.64 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 62.200000000000003 110.912 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -98.43 118.7 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 52.420000000000002 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.2 -18.45 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 111.132 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 150.33 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 52.530000000000001 110.893 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASN . 7.6 p30 -65.09 167.64 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.140000000000001 110.899 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' ASP . 2.6 p-10 47.75 26.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.319999999999993 110.853 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.44 -169.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.898 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 151.07 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.450000000000003 110.937 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.1 178.1 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 75.129999999999995 110.887 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 140.38 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 40.229999999999997 111.112 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 52' ' ' VAL . 26.0 t -141.04 125.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 70.230000000000004 111.135 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 132.56 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.852 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -17.78 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 75.329999999999998 111.164 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -82.19 -41.24 20.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 75.030000000000001 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -103.16 -6.04 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 64.129999999999995 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.61 30.34 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.863 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.8 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.310000000000002 111.116 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 45' ' ' VAL . 98.3 t -132.56 133.91 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 62.210000000000001 111.149 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.9 115.92 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.825 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 p -113.53 141.68 46.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 62.100000000000001 110.879 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 73.030000000000001 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -116.17 132.79 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 110.929 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.2 123.26 45.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.120000000000005 111.157 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.46 160.54 23.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 72.510000000000005 112.491 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 146.49 42.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 73.209999999999994 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 14.2 p -124.59 160.23 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.9 t -103.64 155.71 18.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 34.210000000000001 111.166 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -85.02 -22.34 29.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.229999999999997 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -81.38 -49.78 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 72.430000000000007 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -92.38 -13.55 29.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.904 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' THR . 49.3 t-20 49.44 41.89 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.209999999999994 110.892 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 5.3 pt-20 -127.61 134.3 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 71.340000000000003 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.11 168.24 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.851 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 126.18 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -130.97 163.98 26.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 53.549999999999997 110.907 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -101.92 118.05 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.409999999999997 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -76.87 173.99 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 71.230000000000004 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -23.92 53.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 74.420000000000002 110.881 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.46 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 111.116 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.18 -17.26 56.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 61.340000000000003 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -72.68 150.8 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.209999999999994 110.9 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.76 123.21 33.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.150000000000006 110.824 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -118.29 127.11 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 111.097 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -111.83 139.18 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.409999999999997 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -140.75 144.3 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.340000000000003 111.178 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 147.78 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 71.540000000000006 110.94 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.85 160.73 25.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 54.399999999999999 110.889 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.9 66.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.241 . . . . 74.420000000000002 112.344 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -90.47 14.38 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.64 143.01 48.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.540000000000006 110.881 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -18.1 65.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 65.450000000000003 110.892 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -67.85 -32.82 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 60.350000000000001 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 127.69 5.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 63.350000000000001 110.952 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.02 178.7 6.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 65.319999999999993 110.953 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.51 118.67 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.894 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -96.04 -31.22 13.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 111.157 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -140.2 152.98 46.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.922 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -66.23 155.69 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 71.349999999999994 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.48 18.07 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.200000000000003 110.866 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.63 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 110.87 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 150.14 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.917 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -145.27 177.51 8.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.12 140.88 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 75.019999999999996 111.188 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 52' ' ' VAL . 48.2 t -143.83 125.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 51.130000000000003 111.159 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 132.78 56.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 64.109999999999999 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 111.161 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -42.66 32.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.040000000000006 110.961 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -102.82 -5.3 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 60.350000000000001 110.847 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.13 29.92 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.45 146.25 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 111.06 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 45' ' ' VAL . 95.2 t -132.89 139.0 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 52.149999999999999 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.13 120.66 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 73.439999999999998 110.889 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.6 m -101.65 140.5 35.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.340000000000003 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.549999999999997 110.895 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.35 . . . . 64.340000000000003 110.843 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -124.55 133.03 53.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.5 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -101.12 129.81 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.420000000000002 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.73 160.86 25.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 70.420000000000002 112.493 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -116.42 146.64 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 62.25 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.38 165.58 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 53.219999999999999 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 149.71 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 62.350000000000001 111.126 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -23.86 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.519999999999996 110.925 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -47.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -15.17 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 55.310000000000002 110.899 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 48.62 33.32 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.827 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -127.13 137.61 53.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -97.44 164.45 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.519999999999996 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.28 125.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -138.06 164.04 30.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.24 122.2 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 71.129999999999995 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.411 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.43 179.38 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.340000000000003 110.89 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.74 -36.7 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.209999999999994 110.845 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.71 -13.34 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 44.229999999999997 111.123 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 -17.65 53.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 75.239999999999995 112.472 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -63.86 149.52 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.321 . . . . 72.019999999999996 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.71 122.82 27.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 72.310000000000002 110.894 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 m -118.9 127.15 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 64.230000000000004 111.106 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -111.89 126.29 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 54.219999999999999 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -130.01 133.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.109999999999999 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 149.01 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 72.420000000000002 110.923 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 m -100.17 158.98 31.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 71.430000000000007 110.85 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.35 50.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.649 2.233 . . . . 71.409999999999997 112.361 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -87.49 9.73 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 62.049999999999997 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -76.9 146.32 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.409999999999997 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.53 -18.49 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.119999999999997 110.899 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -69.17 -32.54 71.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.129999999999995 110.868 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.03 124.4 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.38 177.47 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 110.888 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -98.75 118.07 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.119999999999997 110.854 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -97.36 -27.5 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.219999999999999 111.126 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 165.26 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.239999999999995 110.904 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -77.02 160.11 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.63 18.94 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.019999999999996 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.929 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 145.42 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.68 178.32 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.44 140.83 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 55.439999999999998 111.123 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 52' ' ' VAL . 67.9 t -140.88 124.93 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 111.135 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.42 131.27 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.239999999999995 110.849 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -17.87 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 111.139 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.96 -40.79 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.040000000000006 110.924 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -103.12 -5.89 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 65.400000000000006 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.71 29.55 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.020000000000003 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.77 127.54 53.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 65.450000000000003 111.136 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 HG13 ' A' ' 45' ' ' VAL . 6.1 m -112.83 144.21 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 54.310000000000002 111.085 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.4 124.49 27.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.219999999999999 110.87 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.48 140.61 36.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 71.519999999999996 110.867 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 72.519999999999996 111.088 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 115.93 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 65.239999999999995 110.891 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -113.81 133.12 55.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 74.140000000000001 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -103.64 129.93 51.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 53.409999999999997 111.094 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.82 160.6 25.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 73.510000000000005 112.455 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.36 142.09 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 73.120000000000005 110.888 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.12 165.51 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.140000000000001 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.2 151.37 35.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 71.129999999999995 111.137 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -76.73 -23.62 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.450000000000003 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -47.07 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.855 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -88.52 -15.38 35.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 74.420000000000002 110.879 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.4 33.53 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 110.892 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -128.5 136.61 51.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.859 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -96.46 163.52 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 73.239999999999995 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.01 122.89 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.140000000000001 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -137.44 163.83 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 41.210000000000001 110.938 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -104.22 132.54 50.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.519999999999996 110.885 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.3 -172.22 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 61.240000000000002 110.893 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.68 -14.96 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.540000000000006 110.849 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.86 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.219999999999999 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.05 -11.62 66.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 74.120000000000005 112.458 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -84.97 155.12 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 71.329999999999998 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -88.38 117.76 27.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 51.439999999999998 110.848 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -108.88 133.08 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.019999999999996 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -114.56 128.93 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 110.906 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.44 144.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.010000000000005 111.078 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 148.39 51.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 65.349999999999994 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 161.5 23.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.741 . . . . 62.229999999999997 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.54 30.83 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.669 2.246 . . . . 73.140000000000001 112.378 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.21 9.53 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.209999999999994 110.867 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.62 145.23 36.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 110.858 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -19.29 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.847 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -70.18 -31.96 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -156.26 124.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.019999999999996 110.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.5 175.81 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 53.130000000000003 110.858 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 82.6 m -99.09 117.86 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 64.230000000000004 110.92 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -99.1 -31.84 11.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 71.049999999999997 111.167 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.87 159.39 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 71.430000000000007 110.89 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.89 155.76 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.902 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.37 21.08 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.925 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.37 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 71.120000000000005 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 144.63 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.340000000000003 110.898 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -139.44 177.54 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 144.79 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 41.409999999999997 111.104 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' VAL . 51.9 t -147.29 125.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 111.145 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.46 132.49 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 54.43 110.903 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -20.63 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.049999999999997 111.146 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.57 -42.78 33.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 64.109999999999999 110.926 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -102.56 -5.12 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.929 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 52.3 29.34 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.329999999999998 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.73 146.58 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.149999999999999 111.118 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.452 HG13 HG22 ' A' ' 45' ' ' VAL . 92.8 t -132.88 144.11 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.010000000000005 111.145 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.83 117.13 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.832 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.1 t -101.39 136.8 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.219999999999999 110.874 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 110.82 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.868 0.366 . . . . 73.120000000000005 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 158.75 25.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.109999999999999 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.02 132.69 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.14 123.17 43.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 65.239999999999995 111.151 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.55 161.01 24.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.727 -0.749 . . . . 74.340000000000003 112.511 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -116.46 145.23 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 74.329999999999998 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 p -124.57 162.78 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 64.150000000000006 110.829 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 150.14 30.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 73.450000000000003 111.124 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -23.13 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 55.43 110.89 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -46.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 74.540000000000006 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -15.0 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 75.239999999999995 110.894 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 48.71 35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 62.329999999999998 110.864 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -131.84 139.89 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.519999999999996 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.61 168.22 10.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.62 124.27 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.883 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -128.62 163.94 23.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.44 118.36 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.010000000000005 110.869 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -76.94 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.13 -23.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 43.329999999999998 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.5 -14.03 61.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 111.108 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 -17.4 55.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 75.319999999999993 112.453 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.23 152.33 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 72.209999999999994 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.24 119.34 30.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 62.020000000000003 110.925 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -114.83 133.53 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 55.509999999999998 111.137 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -111.91 140.41 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 tt -139.14 145.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 60.450000000000003 111.139 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 147.31 53.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.530000000000001 110.889 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.81 161.56 23.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 33.200000000000003 110.884 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.0 39.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 2.233 . . . . 51.219999999999999 112.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -86.5 9.88 16.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.911 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -76.59 145.4 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 74.420000000000002 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -18.23 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.84 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -68.84 -32.89 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.33 124.39 5.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.109999999999999 110.876 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.93 173.32 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.040000000000006 110.885 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 117.32 33.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -98.32 -31.08 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.109999999999999 111.172 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 159.11 42.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -74.86 158.45 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 72.420000000000002 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.82 18.56 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.886 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 61.130000000000003 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.77 149.75 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -136.26 177.76 7.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 64.349999999999994 110.907 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 140.35 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.409999999999997 111.108 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 52' ' ' VAL . 93.6 t -141.07 125.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.073 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 132.82 51.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.350000000000001 110.93 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.1 -17.23 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 54.329999999999998 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -82.43 -41.74 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.928 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -103.09 -5.66 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 74.040000000000006 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 51.91 34.97 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.908 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.71 147.86 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 43.32 111.07 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 45' ' ' VAL . 69.0 t -127.04 142.96 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 54.439999999999998 111.177 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.96 123.19 18.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.3 m -102.75 140.2 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 74.530000000000001 110.904 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 110.851 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.844 0.354 . . . . 72.140000000000001 111.098 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.46 118.15 36.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.859 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.97 133.06 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.010000000000005 110.923 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 t -107.76 129.42 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.349999999999994 111.127 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.59 161.03 26.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.778 -0.725 . . . . 63.539999999999999 112.509 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.74 43.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 63.100000000000001 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.96 163.48 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 42.25 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.33 150.87 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 63.219999999999999 111.138 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -76.66 -24.79 53.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.130000000000003 110.946 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -47.12 11.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -15.8 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 52.240000000000002 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.08 33.41 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.120000000000005 110.899 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.12 136.05 51.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 74.420000000000002 110.851 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.32 165.8 12.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 122.74 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 62.409999999999997 110.826 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -138.66 163.7 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.94 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.219999999999999 110.875 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -76.52 -173.79 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 74.019999999999996 110.869 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.16 -37.25 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.109999999999999 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -72.06 -9.03 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 52.130000000000003 111.094 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.98 -4.17 81.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 71.439999999999998 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -71.2 137.23 48.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 74.319999999999993 110.842 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.79 120.84 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.510000000000005 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.5 m -122.01 124.97 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 111.15 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.84 129.25 56.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 110.893 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -132.94 143.62 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 148.47 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 55.530000000000001 110.865 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.8 161.06 25.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 62.32 110.864 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.27 32.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.629 2.219 . . . . 73.439999999999998 112.366 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -88.17 9.66 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.921 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.11 146.6 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.219999999999999 110.892 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -18.82 60.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 110.891 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.43 -32.39 71.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 110.878 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 124.77 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.119999999999997 110.915 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.88 177.43 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.887 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.2 m -98.98 119.6 38.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.450000000000003 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.7 p -96.32 -31.37 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -137.12 157.5 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.129999999999995 110.948 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 8' ' ' THR . 2.3 m-20 -71.88 160.42 32.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 64.219999999999999 110.88 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.27 19.43 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.885 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -59.62 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.230000000000004 110.912 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.03 142.15 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.23 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.319999999999993 110.866 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 143.89 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.120000000000005 111.139 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 52' ' ' VAL . 59.1 t -145.9 124.76 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 70.439999999999998 111.157 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.71 131.19 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 62.310000000000002 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -18.04 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.121 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.99 -40.37 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.519999999999996 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -102.93 -5.89 23.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 61.420000000000002 110.935 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.84 28.54 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.219999999999999 110.944 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.58 129.37 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 63.130000000000003 111.143 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.955 HG12 HG22 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -122.08 141.84 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.163 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.29 111.95 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 65.230000000000004 110.89 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -104.85 133.38 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.019999999999996 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.871 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.879 0.371 . . . . 73.25 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -96.5 160.23 14.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -136.75 132.78 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.932 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.0 122.33 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 65.510000000000005 111.163 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.48 160.91 24.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 73.239999999999995 112.492 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -116.45 145.24 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 73.140000000000001 110.922 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -127.5 165.59 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.914 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 150.4 35.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.129 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -75.99 -23.1 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -47.03 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.430000000000007 110.819 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -15.27 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 72.329999999999998 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 48.77 34.62 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -129.67 137.02 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 52.409999999999997 110.865 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.43 164.91 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.409999999999997 110.887 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.23 124.51 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.914 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -140.09 164.12 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 74.049999999999997 110.951 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -97.1 123.34 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.299999999999997 110.88 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.489 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.53 -172.91 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.917 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.86 -37.13 68.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.877 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -69.61 -11.2 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 53.049999999999997 111.095 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.43 -4.67 80.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 30.219999999999999 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -72.63 145.27 47.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 72.030000000000001 110.875 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.1 119.33 22.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.845 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -124.96 131.98 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.25 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -111.97 145.95 38.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 53.219999999999999 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -145.23 151.66 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.64 146.84 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.530000000000001 110.886 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.29 160.91 24.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 73.030000000000001 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 140.88 43.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 71.430000000000007 112.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -87.78 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -77.03 146.13 37.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.310000000000002 110.914 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -18.16 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.219999999999999 110.855 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -68.73 -32.79 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.22 124.15 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.549999999999997 110.876 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.26 173.15 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.9 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.11 118.97 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 63.350000000000001 110.864 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -99.13 -31.97 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.030000000000001 111.102 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -135.07 163.0 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 72.219999999999999 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.99 158.64 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 71.349999999999994 110.846 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.29 18.47 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.07 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.08 147.54 44.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 m -135.7 178.3 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 110.888 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.74 140.34 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.219999999999999 111.123 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 52' ' ' VAL . 99.4 t -148.1 127.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 71.319999999999993 111.117 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.0 131.69 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 71.349999999999994 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -17.6 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 111.197 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -40.88 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 55.549999999999997 110.918 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -103.26 -5.47 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 65.439999999999998 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 52.31 27.95 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.43 123.32 43.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 63.350000000000001 111.066 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.34 136.45 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 63.219999999999999 111.145 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.84 134.14 32.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 62.119999999999997 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m -105.74 147.38 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.818 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 42.420000000000002 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -96.25 119.04 34.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 62.240000000000002 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -111.07 132.92 53.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -106.29 129.65 54.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 52.130000000000003 111.112 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.42 160.65 26.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 60.25 112.441 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -115.57 144.84 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.530000000000001 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 p -123.06 161.92 23.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 41.310000000000002 110.913 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.73 150.8 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.030000000000001 111.161 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -76.55 -23.39 53.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 65.430000000000007 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -83.08 -47.34 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 41.530000000000001 110.879 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -15.23 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 48.71 33.19 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.868 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.5 138.02 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 64.340000000000003 110.871 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -96.4 150.46 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 60.299999999999997 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.75 124.25 45.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 65.010000000000005 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -140.95 163.85 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -111.32 145.15 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.903 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -173.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 63.409999999999997 110.899 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.96 -15.38 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 72.450000000000003 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.66 -4.67 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 74.329999999999998 111.109 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.56 1.17 81.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 34.299999999999997 112.463 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -82.66 130.92 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.5 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.73 121.57 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.851 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.5 m -126.29 112.46 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.185 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -111.66 150.83 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -145.25 148.34 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.329999999999998 111.173 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 147.21 27.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 110.926 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.12 158.13 32.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 75.230000000000004 110.878 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.8 68.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.340000000000003 112.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -87.83 9.73 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 62.340000000000003 110.909 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.57 160.95 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 53.520000000000003 110.847 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -72.18 -16.98 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 65.310000000000002 110.887 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -67.95 -33.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.87 122.76 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.319999999999993 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -167.46 169.68 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 60.329999999999998 110.877 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.5 m -98.76 120.14 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -87.61 -32.0 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.420000000000002 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.03 161.99 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.896 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.49 161.03 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.230000000000004 110.887 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t30 63.88 15.5 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.865 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.54 151.23 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.230000000000004 110.864 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.59 177.38 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 63.210000000000001 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.73 141.07 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.229999999999997 111.174 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.04 125.01 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 60.520000000000003 111.129 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.74 132.61 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.340000000000003 110.882 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -17.55 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 70.030000000000001 111.133 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -40.97 20.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.924 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -103.23 -6.2 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 54.340000000000003 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.61 30.26 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.883 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.22 147.61 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -132.91 136.0 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 63.310000000000002 111.16 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.98 116.7 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 74.209999999999994 110.861 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.4 p -114.34 141.03 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.030000000000001 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 110.9 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.351 . . . . 65.420000000000002 111.112 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.47 116.24 22.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.150000000000006 110.887 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.17 132.75 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.450000000000003 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.02 129.71 45.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 73.530000000000001 111.166 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.91 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 51.219999999999999 112.477 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -116.12 144.0 44.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 72.540000000000006 110.894 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -124.36 158.78 31.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.9 151.29 23.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 53.109999999999999 111.154 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -77.68 -24.18 49.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 50.299999999999997 110.862 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 p -83.49 -47.35 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 61.210000000000001 110.846 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -15.61 36.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.329999999999998 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 47.8 39.3 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.540000000000006 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -131.89 133.8 45.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -91.97 167.47 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.15 125.07 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 64.340000000000003 110.957 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -130.57 164.06 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 72.219999999999999 110.914 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -98.48 121.07 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.019999999999996 110.903 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -77.51 178.8 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.81 -25.13 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 110.819 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.6 -12.27 60.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 51.049999999999997 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 -16.42 58.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 65.439999999999998 112.458 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 157.3 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 72.329999999999998 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -95.55 119.77 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 41.509999999999998 110.87 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -115.8 129.57 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 111.157 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -111.83 139.86 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.310000000000002 110.829 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -138.61 143.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.140000000000001 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 147.48 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 110.899 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.76 162.66 19.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 74.420000000000002 110.898 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.03 34.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 75.400000000000006 112.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 9.93 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.150000000000006 110.891 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -75.94 140.76 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.03 -18.91 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 61.119999999999997 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.37 -32.43 71.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.349999999999994 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.21 123.08 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.349999999999994 110.856 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -167.78 177.99 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.905 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.1 119.54 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 p -96.01 -31.36 13.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 111.182 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.17 153.45 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.936 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.43 156.07 38.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 63.439999999999998 110.853 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 64.86 14.01 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 62.439999999999998 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.28 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 72.140000000000001 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 151.75 50.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.879 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.89 177.81 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.73 141.19 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.131 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.612 HG13 HG12 ' A' ' 52' ' ' VAL . 59.0 t -140.21 124.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.540000000000006 111.164 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 131.69 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 62.340000000000003 110.877 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 -17.04 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.138 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -45.39 20.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.92 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 1.5 p30 -103.78 -3.49 24.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 62.409999999999997 110.832 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 52.52 33.54 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -105.8 132.94 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.230000000000004 111.093 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.612 HG12 HG13 ' A' ' 45' ' ' VAL . 4.5 m -117.68 144.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 62.310000000000002 111.136 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.24 117.33 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 54.310000000000002 110.844 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.2 m -101.99 135.06 44.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.892 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.846 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 63.25 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.09 136.05 53.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.209999999999994 110.884 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -121.49 132.85 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 64.140000000000001 110.921 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -98.29 129.5 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.019999999999996 111.111 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 160.45 25.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 42.219999999999999 112.515 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.68 141.44 48.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 74.340000000000003 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -124.34 164.72 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 151.43 35.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 61.25 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -76.56 -23.42 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.400000000000006 110.889 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.43 -46.96 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.209999999999994 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -88.62 -15.46 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.299999999999997 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.46 33.9 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.21 138.34 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 41.509999999999998 110.847 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.1 166.18 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.99 123.36 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -127.42 164.06 22.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.109999999999999 110.934 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -106.32 118.67 37.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 51.530000000000001 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -77.19 179.74 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 71.129999999999995 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.56 -22.97 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 55.200000000000003 110.906 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -14.72 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.140000000000001 111.106 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.35 -17.59 55.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 61.149999999999999 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -72.02 148.68 45.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 75.120000000000005 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.87 119.98 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 63.149999999999999 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m -112.33 130.18 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.040000000000006 111.119 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -111.89 138.7 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 110.897 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -140.9 142.74 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 62.409999999999997 111.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 149.27 50.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 74.319999999999993 110.884 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.41 160.94 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 73.420000000000002 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 74.340000000000003 112.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 9.81 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 63.200000000000003 110.886 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -76.87 145.56 38.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.120000000000005 110.861 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -17.91 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.875 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -68.78 -32.8 72.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.35 124.31 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.29 170.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.400000000000006 110.864 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.73 117.7 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.86 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -32.32 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 111.109 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.56 46.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 63.310000000000002 110.942 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.74 156.06 39.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.887 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.0 19.28 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.549999999999997 110.856 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.22 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.420000000000002 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.9 151.05 50.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.888 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 m -136.78 178.25 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.109999999999999 110.873 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.6 140.47 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.530000000000001 111.103 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 HG12 ' A' ' 52' ' ' VAL . 61.5 t -137.32 124.97 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.439999999999998 111.082 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.22 131.79 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.799 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -17.38 37.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 111.172 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -40.73 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.912 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -103.29 -5.86 22.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.25 110.9 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 51.69 30.03 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.219999999999999 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.86 134.6 48.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 53.340000000000003 111.102 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 HG13 ' A' ' 45' ' ' VAL . 7.8 m -114.44 144.33 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.049999999999997 111.167 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.01 124.97 25.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.129999999999995 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.1 m -102.45 140.66 36.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 110.874 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.924 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 73.019999999999996 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -96.32 143.96 26.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.510000000000005 110.929 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -128.9 133.08 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.954 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.92 123.09 41.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 75.329999999999998 111.102 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 162.32 25.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.430000000000007 112.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.46 146.64 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 64.400000000000006 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -128.74 163.52 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 71.510000000000005 110.838 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' HB2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -105.74 149.38 26.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 111.09 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -76.64 -24.38 53.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.349999999999994 110.864 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -47.17 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 55.210000000000001 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -86.75 -15.75 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 75.530000000000001 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 48.26 33.71 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.010000000000005 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.46 130.44 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.430000000000007 110.89 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.65 161.58 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.219999999999999 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.4 126.92 23.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 63.109999999999999 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CE2' HG21 ' A' ' 45' ' ' VAL . 5.1 p90 -145.83 165.03 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.95 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -97.25 120.57 37.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.219999999999999 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.616 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -75.83 169.46 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.875 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -26.83 51.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . . . -66.9 -13.22 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 53.310000000000002 111.109 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 -17.85 54.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 35.240000000000002 112.494 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -80.0 145.77 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.738 0.304 . . . . 74.010000000000005 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.84 126.33 30.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.835 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -124.14 150.18 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.118 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -134.14 136.17 43.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.200000000000003 110.919 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.97 149.91 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 111.159 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 145.3 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.519999999999996 110.927 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.26 150.68 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 71.120000000000005 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.43 38.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 72.299999999999997 112.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -88.54 9.38 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 61.119999999999997 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -77.9 153.62 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 110.868 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.49 -17.03 63.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 70.329999999999998 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -32.1 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.129999999999995 110.889 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.02 124.2 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.5 110.883 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -166.57 167.13 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.129999999999995 110.879 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.0 m -99.43 119.86 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.510000000000005 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.6 p -84.39 -31.91 24.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 75.239999999999995 111.136 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -150.22 167.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.219999999999999 110.871 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.494 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 p-10 -84.61 156.76 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.868 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.9 12.6 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.78 -170.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 148.94 50.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.878 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -135.77 177.25 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.350000000000001 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.03 139.73 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 31.329999999999998 111.16 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.691 HG21 ' CE2' ' A' ' 16' ' ' TYR . 68.9 t -148.29 128.91 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 63.100000000000001 111.124 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.04 132.3 54.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 110.897 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -17.82 37.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 64.5 111.125 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 64.140000000000001 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -103.2 -5.09 23.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.350000000000001 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 52.51 28.03 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.200000000000003 110.911 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.57 123.02 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 45.200000000000003 111.125 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.481 HG23 HG22 ' A' ' 45' ' ' VAL . 1.7 p -121.11 137.79 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 111.144 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -139.38 121.05 15.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.0 m -101.09 139.14 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.129999999999995 110.876 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 73.5 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.836 0.35 . . . . 74.030000000000001 111.102 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.14 121.08 37.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -111.02 132.82 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 124.26 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 72.150000000000006 111.111 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.06 161.58 24.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 53.310000000000002 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 140.78 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 55.509999999999998 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 4.2 p -124.53 165.53 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 64.239999999999995 110.904 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.46 151.53 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.539999999999999 111.096 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.78 -24.09 52.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 61.130000000000003 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 p -82.81 -47.13 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.149999999999999 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -87.75 -15.73 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 48.14 33.97 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 50.200000000000003 110.847 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.19 135.52 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.855 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 t -96.37 163.61 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 53.240000000000002 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.2 123.93 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 71.510000000000005 110.911 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -138.96 164.21 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.450000000000003 110.932 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.16 122.2 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 65.040000000000006 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -77.2 -178.74 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 65.340000000000003 110.909 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -61.95 -23.72 66.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 61.119999999999997 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.65 61.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.061 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.0 -17.08 56.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 44.119999999999997 112.474 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -74.14 158.63 33.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 55.119999999999997 110.872 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.62 129.11 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.885 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 m -123.21 124.74 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 64.099999999999994 111.12 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -111.87 126.21 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -130.34 140.03 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 71.299999999999997 111.137 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 150.62 47.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.219999999999999 110.862 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.57 159.01 30.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 50.439999999999998 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.57 40.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 75.129999999999995 112.364 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -89.0 12.12 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 65.409999999999997 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.86 151.16 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 60.240000000000002 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -17.09 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 62.329999999999998 110.826 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -67.7 -35.04 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 61.439999999999998 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.74 127.62 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 64.120000000000005 110.894 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.52 177.6 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 110.923 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 72.9 m -98.39 116.55 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 71.230000000000004 110.872 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 p -100.2 -31.64 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 111.126 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.7 tttm -124.65 162.99 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.912 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.08 151.94 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 65.409999999999997 110.834 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.01 17.73 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 110.888 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 3.1 m-20 -59.09 -172.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 110.863 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.87 139.87 47.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 110.844 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 p -130.25 177.35 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 50.539999999999999 110.878 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.98 143.7 38.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.099999999999994 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 52' ' ' VAL . 70.3 t -145.65 125.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 111.091 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.71 132.43 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -24.15 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 62.329999999999998 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -45.99 27.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 72.340000000000003 110.925 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.31 -6.07 38.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 71.019999999999996 110.914 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.98 28.17 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 110.893 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.79 141.16 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 45' ' ' VAL . 98.7 t -133.01 144.04 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 75.409999999999997 111.109 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.93 116.3 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 54.329999999999998 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 4.6 t -103.82 136.05 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 53.119999999999997 110.861 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.898 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.815 0.34 . . . . 54.119999999999997 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 160.01 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.510000000000005 110.963 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -136.86 132.81 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 64.329999999999998 110.888 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.18 121.45 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 74.019999999999996 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.01 160.75 25.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 54.009999999999998 112.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 146.01 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 72.239999999999995 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 16.4 p -127.05 165.25 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.874 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.81 151.14 28.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 43.409999999999997 111.151 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -76.89 -23.89 52.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.399999999999999 110.9 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -83.95 -47.07 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 61.520000000000003 110.825 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -15.49 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.340000000000003 110.917 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.36 33.69 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.019999999999996 110.845 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 4.7 pt-20 -126.42 137.32 53.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 43.030000000000001 110.901 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.18 167.31 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.120000000000005 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -144.3 122.47 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 110.884 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -141.02 164.07 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.439999999999998 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -97.16 136.29 37.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.120000000000005 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -172.14 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 62.200000000000003 110.935 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.26 -17.54 58.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 72.150000000000006 110.848 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.09 60.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 25.309999999999999 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.39 -10.32 69.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 54.409999999999997 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -87.74 158.61 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 75.450000000000003 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 129.7 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 64.200000000000003 110.897 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.6 m -125.56 135.49 52.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 62.439999999999998 111.121 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.82 138.97 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 73.239999999999995 110.939 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 tt -142.07 138.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.129999999999995 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 148.86 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.409999999999997 110.89 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.53 161.92 21.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 73.200000000000003 110.854 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.39 47.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 73.209999999999994 112.325 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 9.75 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.867 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.62 146.12 38.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.209999999999994 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -17.49 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 61.329999999999998 110.889 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.75 -33.43 73.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 60.109999999999999 110.888 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.63 124.34 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.905 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.5 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 61.329999999999998 110.907 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.97 116.36 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.885 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.41 -32.91 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 111.196 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -121.22 148.54 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.96 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.29 152.21 43.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 64.010000000000005 110.849 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.13 20.89 12.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 63.539999999999999 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 150.74 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 m -136.09 177.81 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 42.32 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.09 140.46 34.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 54.130000000000003 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 52' ' ' VAL . 99.2 t -141.61 125.27 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.17 133.09 50.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.851 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 -17.79 39.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 111.164 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.56 -42.08 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.299999999999997 110.914 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -102.9 -5.38 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.03 34.92 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 110.866 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 147.7 28.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 111.076 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 HG22 ' A' ' 45' ' ' VAL . 60.7 t -126.96 143.93 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.530000000000001 111.094 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.12 122.44 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 64.209999999999994 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.63 137.83 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 41.520000000000003 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 65.349999999999994 110.865 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.362 . . . . 54.299999999999997 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.13 118.13 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.924 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.0 132.88 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.967 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.98 125.89 44.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 51.100000000000001 111.137 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.26 160.82 25.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 72.25 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 145.18 42.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 45.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.31 158.35 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.049999999999997 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.61 149.98 23.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 44.219999999999999 111.14 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -77.1 -24.56 51.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 64.310000000000002 110.895 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -47.1 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.871 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.18 -15.23 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.861 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 48.52 32.59 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.420000000000002 110.895 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -124.11 137.15 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.93 166.09 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.020000000000003 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 127.27 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 63.329999999999998 110.891 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 45' ' ' VAL . 48.5 p90 -145.34 164.12 32.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.931 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -97.14 126.71 42.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 74.400000000000006 110.936 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.464 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -76.52 -172.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.219999999999999 110.867 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.87 -37.14 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 71.140000000000001 110.848 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -71.12 -10.03 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 63.530000000000001 111.091 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.41 -4.52 81.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 51.049999999999997 112.487 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -71.83 135.77 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 73.310000000000002 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.48 122.29 18.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 51.5 110.909 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -125.47 132.15 52.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.101 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -111.87 127.96 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.904 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -130.25 150.88 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 52.200000000000003 111.136 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.09 147.85 44.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 70.340000000000003 110.878 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.32 162.18 21.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 61.030000000000001 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.67 28.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.722 2.281 . . . . 73.530000000000001 112.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -87.34 9.71 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 64.25 110.924 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -76.98 148.35 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.329999999999998 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.09 -18.52 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.510000000000005 110.857 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -69.2 -32.76 72.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 54.32 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.26 124.72 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 110.895 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.12 177.99 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 64.049999999999997 110.872 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 118.41 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.219999999999999 110.886 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -96.73 -31.7 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.099999999999994 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 1.2 tptt -137.61 150.01 47.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.450000000000003 110.87 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -64.36 158.21 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.82 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t30 63.73 16.52 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 110.852 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.5 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.876 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 148.67 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.129999999999995 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -142.86 178.16 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 70.109999999999999 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.02 141.07 40.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 111.131 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 52' ' ' VAL . 92.0 t -137.18 124.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 111.133 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 131.32 54.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 61.450000000000003 110.893 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.83 -17.65 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.099999999999994 111.133 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -40.72 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 75.019999999999996 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.14 -5.91 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 62.240000000000002 110.842 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m120 51.73 29.48 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.869 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.88 131.59 53.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.129999999999995 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 45' ' ' VAL . 7.0 m -113.5 144.53 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 70.25 111.096 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.44 121.86 20.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 148.36 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 54.219999999999999 110.881 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 61.520000000000003 110.87 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.359 . . . . 72.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -108.77 145.64 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.219999999999999 110.939 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -118.32 133.1 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.21 122.83 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 52.210000000000001 111.111 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.3 160.8 24.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 73.510000000000005 112.485 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.09 44.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 64.439999999999998 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.61 166.16 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 65.409999999999997 110.856 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -116.2 150.96 36.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.209999999999994 111.167 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -76.89 -23.06 52.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.907 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.23 -46.86 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 64.150000000000006 110.849 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -89.57 -14.82 34.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 33.02 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -126.08 137.37 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.230000000000004 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -98.0 162.78 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.834 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -143.1 122.22 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -136.1 163.47 30.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 72.409999999999997 110.935 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.55 130.24 53.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.908 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -78.17 173.22 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.349999999999994 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.34 -22.84 54.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.861 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -8.84 57.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.32 111.106 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.1 -17.33 56.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.010000000000005 112.459 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 151.82 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 61.219999999999999 110.935 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.14 120.85 37.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -118.89 135.28 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 111.151 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.36 135.79 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.889 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -137.89 140.96 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.030000000000001 111.107 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 150.2 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 110.884 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.0 158.21 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 73.409999999999997 110.894 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 144.59 54.77 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 73.25 112.373 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 8.76 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.120000000000005 110.928 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -77.96 145.89 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.833 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.44 -18.66 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 110.835 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.54 -31.5 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.140000000000001 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.66 124.18 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 110.893 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -165.86 177.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 110.889 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.2 m -106.83 118.58 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.140000000000001 110.918 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -97.82 -32.39 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.520000000000003 111.175 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 161.2 36.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.230000000000004 110.853 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 3.4 p30 -75.34 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.875 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 21.67 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.400000000000006 110.949 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 70.120000000000005 110.908 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 146.1 39.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.886 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.76 178.47 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.120000000000005 110.888 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.6 141.13 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.420000000000002 111.15 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.7 t -137.78 124.72 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.019999999999996 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -113.92 130.75 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.310000000000002 110.892 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.62 -18.36 31.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 65.310000000000002 111.124 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -41.02 18.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 110.922 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -102.95 -5.96 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 61.200000000000003 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 51.6 29.34 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 52.210000000000001 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.76 135.07 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 65.349999999999994 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.25 144.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.010000000000005 111.126 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.81 116.94 20.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.43 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 t -101.33 134.25 44.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 74.340000000000003 110.888 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.858 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.86 0.362 . . . . 71.340000000000003 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -130.05 120.94 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.874 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -116.95 132.68 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.230000000000004 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -98.96 129.51 45.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.44 162.17 26.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 75.120000000000005 112.485 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.04 143.76 45.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 73.150000000000006 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 p -124.11 159.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 71.400000000000006 110.866 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 143.42 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 111.184 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -75.83 -22.48 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 -50.3 66.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.319999999999993 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -105.23 -2.77 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 64.430000000000007 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 50.09 34.31 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 65.230000000000004 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -115.74 146.23 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 t -108.16 155.98 19.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 54.439999999999998 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 129.69 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.861 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -148.33 164.26 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.409999999999997 110.949 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -97.1 141.45 30.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 71.420000000000002 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -95.82 -176.93 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.835 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -25.29 67.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 64.439999999999998 110.87 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.08 -12.69 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 111.076 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.26 -17.34 56.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 73.219999999999999 112.468 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -73.59 151.39 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 71.329999999999998 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.22 128.72 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.049999999999997 110.871 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -123.87 129.18 50.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.549999999999997 111.123 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.9 132.12 54.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.891 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -133.3 137.1 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.09 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 151.16 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 72.439999999999998 110.897 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.09 161.14 24.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 62.350000000000001 110.949 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.96 34.32 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.71 2.274 . . . . 71.239999999999995 112.362 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -85.56 8.54 18.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.239999999999995 110.874 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -78.0 144.86 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -17.72 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 110.919 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -31.6 70.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.140000000000001 110.873 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -155.86 124.34 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.889 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -166.41 174.0 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 62.310000000000002 110.868 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.14 118.96 37.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.8 p -96.86 -30.44 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 75.510000000000005 111.124 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 20.3 tttm -129.84 146.27 51.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 71.420000000000002 110.901 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.89 154.39 41.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.921 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.82 17.63 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.299999999999997 110.91 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.2 m-20 -59.16 -171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.882 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 147.81 50.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 73.310000000000002 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -141.97 177.12 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 70.230000000000004 110.854 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.58 144.89 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.099999999999994 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -143.8 125.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 52.340000000000003 111.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -115.72 132.25 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 51.43 110.852 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -18.44 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.133 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -41.54 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -102.94 -5.8 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 64.409999999999997 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 51.7 30.16 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 63.229999999999997 110.91 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.96 147.61 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.99 143.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 70.209999999999994 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.96 130.38 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 44.310000000000002 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 43' ' ' CYS . 5.3 m -117.35 132.33 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 110.924 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 71.200000000000003 110.909 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 73.219999999999999 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.53 143.12 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 53.340000000000003 110.901 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -131.37 132.91 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.240000000000002 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.534 HG22 ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -101.79 120.09 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.140000000000001 111.17 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 42' ' ' LYS . . . -139.09 158.34 25.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 42.039999999999999 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -113.74 147.42 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 64.519999999999996 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.78 166.02 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 72.420000000000002 110.867 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.75 148.73 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -77.21 -22.68 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -77.74 -47.17 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.851 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -12.71 28.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.030000000000001 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t30 49.89 34.02 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -127.38 141.45 51.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.855 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -99.81 162.05 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 72.349999999999994 110.892 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.12 122.98 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 70.340000000000003 110.898 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -133.97 163.96 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 70.239999999999995 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -109.62 124.39 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 64.040000000000006 110.903 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -77.45 176.54 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 72.019999999999996 110.905 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -57.67 -23.83 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.310000000000002 110.859 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.1 -14.32 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 72.150000000000006 111.101 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.13 -13.77 63.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.495 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -69.79 150.16 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -91.02 120.74 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.905 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -118.99 127.58 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 63.140000000000001 111.092 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -112.01 130.06 55.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.78 144.26 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 52.530000000000001 111.132 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 149.06 50.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.929 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.85 161.62 23.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.592 0.71 . . . . 73.120000000000005 110.868 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 134.2 27.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 63.049999999999997 112.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.37 9.52 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.885 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.65 145.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.5 -19.3 56.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 60.219999999999999 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -70.43 -31.9 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.109999999999999 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.62 125.23 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 62.549999999999997 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.11 173.95 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.925 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 74.2 m -99.0 116.99 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 44.509999999999998 110.866 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -99.82 -31.87 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 45.439999999999998 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.493 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -124.35 152.78 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.862 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -75.11 153.39 38.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.420000000000002 110.88 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 t30 65.55 14.2 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 55.299999999999997 110.816 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.9 m-20 -55.47 179.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 71.099999999999994 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HD3' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.2 135.61 52.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 71.120000000000005 110.913 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.0 p -130.47 177.58 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.409999999999997 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.5 142.64 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 41.329999999999998 111.134 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -148.04 125.55 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 111.108 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.42 131.19 54.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 71.510000000000005 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -18.92 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 53.509999999999998 111.153 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -83.69 -40.17 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.349999999999994 110.928 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -103.08 -5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 63.329999999999998 110.892 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 52.2 27.63 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.019999999999996 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.31 123.41 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 p -122.41 140.75 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.340000000000003 111.087 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.51 120.4 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 53.009999999999998 110.809 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 3.0 t -101.11 132.11 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.230000000000004 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' HB1' ' OD1' ' A' ' 46' ' ' ASP . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.816 0.341 . . . . 73.409999999999997 111.096 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -126.17 123.79 39.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 70.230000000000004 110.959 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -123.06 132.77 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 74.329999999999998 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.66 122.67 41.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 61.310000000000002 111.186 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.42 161.67 25.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 51.420000000000002 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HG2' ' HD3' ' A' ' 42' ' ' LYS . 1.2 mtmt -115.05 137.35 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 73.319999999999993 110.928 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.03 163.66 20.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.400000000000006 110.896 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -110.45 147.51 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.350000000000001 111.139 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -76.01 -22.24 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 64.109999999999999 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -84.2 -47.12 11.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.894 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -89.41 -15.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.030000000000001 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 48.35 44.1 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.049999999999997 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -135.05 127.51 30.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.74 162.92 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.140000000000001 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 124.26 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -143.57 164.3 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 55.030000000000001 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.882 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.506 HD21 ' HB3' ' A' ' 20' ' ' ALA . 1.1 p30 -76.53 -171.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 60.329999999999998 110.934 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.31 -37.02 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.200000000000003 110.871 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -68.88 -11.77 60.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 34.439999999999998 111.08 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.38 -2.82 84.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 65.209999999999994 112.494 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -77.54 133.31 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 74.219999999999999 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 121.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.209999999999994 110.858 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -125.51 135.37 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 111.136 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.96 131.56 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.23 143.88 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 53.520000000000003 111.148 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 147.05 53.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 72.329999999999998 110.909 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.05 158.61 31.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 74.409999999999997 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 137.99 36.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.68 2.253 . . . . 71.420000000000002 112.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.94 8.84 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 72.540000000000006 110.844 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -78.27 146.78 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 74.409999999999997 110.887 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -19.06 48.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 110.896 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.67 -31.62 68.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 70.340000000000003 110.864 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.92 125.24 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.450000000000003 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -167.19 179.22 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.858 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.11 119.9 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 110.854 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 55' ' ' ASP . 3.4 t -96.63 -13.08 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.129999999999995 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.77 166.0 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 54.409999999999997 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 7.2 p-10 -94.56 140.08 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 110.86 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.01 4.34 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 70.430000000000007 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -58.21 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 110.874 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -118.42 151.13 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.864 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.6 177.68 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.239999999999995 110.864 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.98 140.93 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 111.169 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 52' ' ' VAL . 84.7 t -143.88 125.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.230000000000004 111.125 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' OD1' ' HB1' ' A' ' 1' ' ' ALA . 26.0 t0 -117.96 132.53 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.862 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.55 27.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 72.25 111.154 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -45.48 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -98.17 -5.12 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 52.3 28.88 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.319999999999993 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.7 142.96 32.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 61.049999999999997 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.666 HG13 HG22 ' A' ' 45' ' ' VAL . 96.8 t -132.89 143.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 63.030000000000001 111.135 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.15 115.98 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.875 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.68 137.68 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.458 ' C ' HG22 ' A' ' 37' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.857 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.375 . . . . 71.530000000000001 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 160.29 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.510000000000005 110.892 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -115.01 132.91 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.150000000000006 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.72 120.4 40.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 71.409999999999997 111.111 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 161.0 25.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 74.209999999999994 112.473 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 146.89 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 74.519999999999996 110.917 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 p -124.19 165.33 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.879 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.85 150.45 30.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 54.009999999999998 111.131 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -76.93 -23.36 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -82.49 -47.3 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.299999999999997 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -14.43 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 110.937 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 48.75 33.04 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.895 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.0 142.44 51.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.38 166.91 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 122.73 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.879 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -142.15 163.94 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 61.240000000000002 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -96.86 141.07 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.530000000000001 110.946 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.4 p30 -95.98 -172.08 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.905 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -56.62 -34.99 67.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.866 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . -69.88 -11.94 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.049999999999997 111.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.87 -5.67 78.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 20.510000000000002 112.5 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -75.45 148.95 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 75.430000000000007 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.69 121.69 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 53.210000000000001 110.936 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -121.98 127.94 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 73.530000000000001 111.183 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -111.98 150.29 30.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 72.299999999999997 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -152.29 147.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.230000000000004 111.119 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 148.12 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.549999999999997 110.901 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.79 160.03 27.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 62.049999999999997 110.868 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.38 65.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 74.510000000000005 112.367 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 9.64 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.200000000000003 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.51 161.22 28.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.33 -17.23 61.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 65.319999999999993 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -68.04 -33.44 74.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 63.229999999999997 110.909 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -157.93 123.42 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.140000000000001 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -167.02 169.1 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 70.040000000000006 110.874 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -98.67 118.51 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 65.420000000000002 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.5 -17.69 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.510000000000005 111.155 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.0 148.25 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.848 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.48 157.25 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.140000000000001 110.859 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.58 17.35 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 110.861 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -170.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 63.520000000000003 110.905 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.43 152.22 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 110.896 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.24 178.24 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.53 140.51 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 65.319999999999993 111.114 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.16 124.7 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.23 130.62 56.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 54.200000000000003 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.78 -18.02 32.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 64.319999999999993 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.42 -41.08 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.925 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -102.97 -6.07 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 73.329999999999998 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.52 29.42 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.919 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.58 131.9 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 51.439999999999998 111.083 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.6 m -116.92 141.78 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.144 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.1 115.84 10.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 110.901 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.4 p -112.57 141.97 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.340000000000003 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 110.875 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 53.530000000000001 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -97.01 117.89 32.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.893 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.08 133.12 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.916 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.99 124.83 50.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 73.439999999999998 111.121 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.4 161.53 25.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 62.020000000000003 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 143.31 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 72.510000000000005 110.911 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.74 165.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 110.846 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.31 150.77 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.209999999999994 111.15 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.1 -23.56 51.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -83.34 -47.42 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.219999999999999 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -15.25 36.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 72.319999999999993 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 48.2 34.01 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 71.349999999999994 110.913 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -126.81 133.39 50.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.140000000000001 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.7 161.55 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.129999999999995 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -139.41 122.63 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.409999999999997 110.891 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -141.28 163.67 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 64.219999999999999 110.93 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -101.72 126.51 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 64.519999999999996 110.922 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.416 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.42 179.48 5.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.871 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.82 -36.8 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 110.828 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.57 -12.98 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.109999999999999 111.123 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.82 -17.73 53.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 51.130000000000003 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.98 133.09 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.340000000000003 110.906 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.56 123.03 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 61.240000000000002 110.889 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -125.67 133.17 52.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 111.166 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -116.58 132.44 56.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 65.409999999999997 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -130.04 142.56 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 63.100000000000001 111.151 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 148.9 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.926 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.23 161.52 23.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 52.119999999999997 110.945 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.38 50.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 75.319999999999993 112.354 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 8.52 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.310000000000002 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -78.56 150.86 32.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 63.219999999999999 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -18.88 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.329999999999998 110.852 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.44 -31.81 67.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.9 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.27 125.72 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 65.319999999999993 110.899 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -166.56 168.95 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 110.928 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 90.9 m -98.49 116.72 31.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.329999999999998 110.909 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 p -100.1 -32.3 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.513 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.1 ttmt -122.15 146.71 46.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.510000000000005 110.896 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' THR . 35.7 m-20 -72.33 150.97 43.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.310000000000002 110.868 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.44 18.58 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 63.219999999999999 110.899 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 2.0 m-20 -58.62 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 110.882 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 143.13 50.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 110.928 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -135.31 177.38 7.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.33 144.47 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.209999999999994 111.174 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.86 124.82 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.329999999999998 111.159 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.16 130.95 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -17.07 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 71.140000000000001 111.138 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.69 -40.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 71.530000000000001 110.941 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.35 -5.63 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 52.340000000000003 110.916 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 52.47 26.07 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.540000000000006 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.25 125.24 41.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.5 111.042 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.44 140.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 61.020000000000003 111.151 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.3 127.44 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.040000000000006 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.5 t -104.55 112.79 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.129999999999995 110.907 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 110.841 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.845 0.355 . . . . 75.129999999999995 111.088 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -113.24 160.24 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.420000000000002 110.912 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -123.26 133.15 54.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.450000000000003 110.895 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.05 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 72.329999999999998 111.111 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.0 160.99 24.8 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 54.039999999999999 112.478 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -116.38 145.3 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 63.130000000000003 110.847 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 p -125.71 165.56 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 52.25 110.908 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.13 148.33 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.450000000000003 111.169 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -76.47 -23.66 53.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.510000000000005 110.924 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -47.08 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 110.876 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -88.46 -14.46 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 48.75 33.33 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 72.109999999999999 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.46 136.44 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.340000000000003 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -98.01 160.73 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 65.209999999999994 110.859 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -140.95 122.91 15.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -140.03 163.59 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 75.209999999999994 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -108.13 127.71 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 71.430000000000007 110.879 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -77.51 176.57 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.129999999999995 110.899 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -57.76 -24.14 55.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.875 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.73 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 52.109999999999999 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.05 -17.07 57.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 74.120000000000005 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.87 154.31 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 63.310000000000002 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.23 121.63 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 63.5 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 111.63 15.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.5 111.128 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -112.02 142.18 44.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -140.06 151.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 55.420000000000002 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 147.89 36.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.833 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.52 156.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.120000000000005 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.17 67.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.420000000000002 112.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -89.03 9.76 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 64.200000000000003 110.89 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.47 161.44 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 64.25 110.883 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -17.47 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 70.310000000000002 110.89 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -68.35 -33.36 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.62 123.63 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.230000000000004 110.877 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.12 169.64 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 62.200000000000003 110.912 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -98.43 118.7 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 52.420000000000002 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -97.2 -18.45 19.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 111.132 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 150.33 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 52.530000000000001 110.893 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASN . 7.6 p30 -65.09 167.64 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.140000000000001 110.899 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' ASP . 2.6 p-10 47.75 26.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.319999999999993 110.853 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.44 -169.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.898 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 151.07 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.450000000000003 110.937 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.1 178.1 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 75.129999999999995 110.887 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 140.38 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 40.229999999999997 111.112 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 52' ' ' VAL . 26.0 t -141.04 125.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 70.230000000000004 111.135 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 132.56 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.852 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -17.78 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 75.329999999999998 111.164 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -82.19 -41.24 20.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 75.030000000000001 110.92 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -103.16 -6.04 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 64.129999999999995 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.61 30.34 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.863 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.8 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.310000000000002 111.116 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 45' ' ' VAL . 98.3 t -132.56 133.91 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 62.210000000000001 111.149 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.9 115.92 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.825 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 p -113.53 141.68 46.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 62.100000000000001 110.879 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 74.430000000000007 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -97.12 119.63 35.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 73.030000000000001 110.918 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -116.17 132.79 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 110.929 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.2 123.26 45.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.120000000000005 111.157 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.46 160.54 23.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 72.510000000000005 112.491 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 146.49 42.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 73.209999999999994 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 14.2 p -124.59 160.23 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 5.9 t -103.64 155.71 18.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 34.210000000000001 111.166 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -85.02 -22.34 29.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.229999999999997 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -81.38 -49.78 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 72.430000000000007 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -92.38 -13.55 29.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.904 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' THR . 49.3 t-20 49.44 41.89 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.209999999999994 110.892 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 5.3 pt-20 -127.61 134.3 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 71.340000000000003 110.877 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.11 168.24 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.851 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 126.18 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -130.97 163.98 26.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 53.549999999999997 110.907 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -101.92 118.05 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.409999999999997 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -76.87 173.99 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 71.230000000000004 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -23.92 53.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 74.420000000000002 110.881 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.46 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 111.116 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.18 -17.26 56.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 61.340000000000003 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -72.68 150.8 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.209999999999994 110.9 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.76 123.21 33.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.150000000000006 110.824 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -118.29 127.11 53.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 111.097 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -111.83 139.18 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.409999999999997 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 tt -140.75 144.3 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 71.340000000000003 111.178 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 147.78 52.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 71.540000000000006 110.94 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.85 160.73 25.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 54.399999999999999 110.889 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.9 66.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.662 2.241 . . . . 74.420000000000002 112.344 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -90.47 14.38 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.64 143.01 48.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.540000000000006 110.881 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -18.1 65.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 65.450000000000003 110.892 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -67.85 -32.82 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 60.350000000000001 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 127.69 5.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 63.350000000000001 110.952 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.02 178.7 6.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 65.319999999999993 110.953 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.51 118.67 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.894 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -96.04 -31.22 13.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 111.157 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -140.2 152.98 46.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.922 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -66.23 155.69 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 71.349999999999994 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.48 18.07 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.200000000000003 110.866 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 38' ' ' LYS . 1.3 t-20 -59.63 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 110.87 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.89 150.14 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.917 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -145.27 177.51 8.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.12 140.88 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 75.019999999999996 111.188 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 52' ' ' VAL . 48.2 t -143.83 125.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 51.130000000000003 111.159 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 132.78 56.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 64.109999999999999 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 111.161 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -42.66 32.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.040000000000006 110.961 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -102.82 -5.3 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 60.350000000000001 110.847 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.13 29.92 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.45 146.25 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 111.06 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 45' ' ' VAL . 95.2 t -132.89 139.0 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 52.149999999999999 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.13 120.66 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 73.439999999999998 110.889 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.6 m -101.65 140.5 35.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.340000000000003 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.549999999999997 110.895 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.851 0.358 . . . . 61.030000000000001 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.77 128.4 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.340000000000003 110.843 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -124.55 133.03 53.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.5 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -101.12 129.81 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.420000000000002 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.73 160.86 25.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 70.420000000000002 112.493 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -116.42 146.64 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 62.25 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.38 165.58 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 53.219999999999999 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 149.71 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 62.350000000000001 111.126 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -23.86 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.519999999999996 110.925 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -47.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.5 -15.17 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 55.310000000000002 110.899 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 48.62 33.32 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.827 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -127.13 137.61 53.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 t -97.44 164.45 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.519999999999996 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.28 125.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -138.06 164.04 30.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.24 122.2 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 71.129999999999995 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.411 HD21 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -76.43 179.38 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.340000000000003 110.89 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.74 -36.7 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.209999999999994 110.845 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' HD21 ' A' ' 18' ' ' ASN . . . -67.71 -13.34 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 44.229999999999997 111.123 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 -17.65 53.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 75.239999999999995 112.472 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -63.86 149.52 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.321 . . . . 72.019999999999996 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.71 122.82 27.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 72.310000000000002 110.894 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 m -118.9 127.15 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 64.230000000000004 111.106 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -111.89 126.29 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 54.219999999999999 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -130.01 133.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.109999999999999 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 149.01 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 72.420000000000002 110.923 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 m -100.17 158.98 31.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 71.430000000000007 110.85 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.35 50.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.649 2.233 . . . . 71.409999999999997 112.361 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -87.49 9.73 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 62.049999999999997 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -76.9 146.32 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.409999999999997 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.53 -18.49 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.119999999999997 110.899 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -69.17 -32.54 71.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.129999999999995 110.868 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.03 124.4 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.38 177.47 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 110.888 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -98.75 118.07 34.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.119999999999997 110.854 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -97.36 -27.5 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.219999999999999 111.126 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 165.26 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.239999999999995 110.904 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -77.02 160.11 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.63 18.94 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.019999999999996 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -171.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.929 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.1 145.42 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.1 m -133.68 178.32 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.44 140.83 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 55.439999999999998 111.123 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 52' ' ' VAL . 67.9 t -140.88 124.93 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 111.135 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.42 131.27 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.239999999999995 110.849 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -17.87 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 111.139 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.96 -40.79 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.040000000000006 110.924 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -103.12 -5.89 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 65.400000000000006 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.71 29.55 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 60.020000000000003 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.77 127.54 53.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 65.450000000000003 111.136 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 HG13 ' A' ' 45' ' ' VAL . 6.1 m -112.83 144.21 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 54.310000000000002 111.085 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.4 124.49 27.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.219999999999999 110.87 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.48 140.61 36.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 71.519999999999996 110.867 179.94 . . . . . . . . 1 1 . 1 stop_ save_